Discussion:
[BlueObelisk-discuss] owner/operator of online web service for CDK?
Robert Hanson
2016-08-29 23:48:30 UTC
Permalink
Does anyone know whom to contact in relation to this site?

Cross-Origin Request Blocked: The Same Origin Policy disallows reading the
remote resource at
http://ws1.bmc.uu.se:8182/cdk/descriptor/org.openscience.cdk.qsar.descriptors.molecular.RuleOfFiveDescriptor/CCCOCOC.
(Reason: CORS header 'Access-Control-Allow-Origin' missing).

It looks like a great site, but (a) I can't find any documentation on it
and (b) it isn't accessible by AJAX.

Bob Hanson
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr


If nature does not answer first what we want,
it is better to take what answer we get.

-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
Rajarshi Guha
2016-08-30 01:04:39 UTC
Permalink
I think Ola Spjuth was/is hosting this.

The code is a set of REST services described at http://rest.rguha.net - it
hasn't been updated in many years. The JAR file should run and the code
should compile (I think it includes the relevant CDK dependencies).

But it's many version behind the latest CDK, so I would'nt suggest using
this for production
Post by Robert Hanson
Does anyone know whom to contact in relation to this site?
Cross-Origin Request Blocked: The Same Origin Policy disallows reading the
remote resource at http://ws1.bmc.uu.se:8182/cdk/
descriptor/org.openscience.cdk.qsar.descriptors.molecular.
RuleOfFiveDescriptor/CCCOCOC. (Reason: CORS header
'Access-Control-Allow-Origin' missing).
It looks like a great site, but (a) I can't find any documentation on it
and (b) it isn't accessible by AJAX.
Bob Hanson
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
------------------------------------------------------------
------------------
_______________________________________________
Blueobelisk-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
--
Rajarshi Guha | http://blog.rguha.net
NIH Center for Advancing Translational Science
Ola Spjuth
2016-08-30 08:21:36 UTC
Permalink
Hi,

Yes, I can confirm that we have been hosting this for some time. We used it in the past, but I dot think we are using it anymore. I would be happy to continue hosting an updated version.

Ola


On 30 aug. 2016, at 03:04, Rajarshi Guha <***@gmail.com<mailto:***@gmail.com>> wrote:

I think Ola Spjuth was/is hosting this.

The code is a set of REST services described at http://rest.rguha.net<http://rest.rguha.net/> - it hasn't been updated in many years. The JAR file should run and the code should compile (I think it includes the relevant CDK dependencies).

But it's many version behind the latest CDK, so I would'nt suggest using this for production

On Mon, Aug 29, 2016 at 7:48 PM, Robert Hanson <***@stolaf.edu<mailto:***@stolaf.edu>> wrote:
Does anyone know whom to contact in relation to this site?

Cross-Origin Request Blocked: The Same Origin Policy disallows reading the remote resource at http://ws1.bmc.uu.se:8182/cdk/descriptor/org.openscience.cdk.qsar.descriptors.molecular.RuleOfFiveDescriptor/CCCOCOC. (Reason: CORS header 'Access-Control-Allow-Origin' missing).

It looks like a great site, but (a) I can't find any documentation on it and (b) it isn't accessible by AJAX.

Bob Hanson

--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr


If nature does not answer first what we want,
it is better to take what answer we get.

-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900


------------------------------------------------------------------------------

_______________________________________________
Blueobelisk-discuss mailing list
Blueobelisk-***@lists.sourceforge.net<mailto:Blueobelisk-***@lists.sourceforge.net>
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss




--
Rajarshi Guha | http://blog.rguha.net<http://blog.rguha.net/>
NIH Center for Advancing Translational Science
------------------------------------------------------------------------------
Egon Willighagen
2016-08-30 12:13:53 UTC
Permalink
Rajarshi, Ola,

where is the code base? Then I can look at updating the code. The QSAR
stack has not changed a lot, neither has the SMILES parsing API. I think I
can fix it without much trouble, if there is a git repository and build
instructions...

Then Ola and I can look at updating the instance in two weeks when I'm
visiting his lab.

Egon
Post by Ola Spjuth
Hi,
Yes, I can confirm that we have been hosting this for some time. We used
it in the past, but I dot think we are using it anymore. I would be happy
to continue hosting an updated version.
Ola
I think Ola Spjuth was/is hosting this.
The code is a set of REST services described at http://rest.rguha.net -
it hasn't been updated in many years. The JAR file should run and the code
should compile (I think it includes the relevant CDK dependencies).
But it's many version behind the latest CDK, so I would'nt suggest using
this for production
Post by Robert Hanson
Does anyone know whom to contact in relation to this site?
Cross-Origin Request Blocked: The Same Origin Policy disallows reading
the remote resource at http://ws1.bmc.uu.se:8182/cdk/
descriptor/org.openscience.cdk.qsar.descriptors.molecular.Ru
leOfFiveDescriptor/CCCOCOC. (Reason: CORS header
'Access-Control-Allow-Origin' missing).
It looks like a great site, but (a) I can't find any documentation on it
and (b) it isn't accessible by AJAX.
Bob Hanson
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
------------------------------------------------------------
------------------
_______________________________________________
Blueobelisk-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
--
Rajarshi Guha | http://blog.rguha.net
NIH Center for Advancing Translational Science
------------------------------------------------------------
------------------
_______________________________________________
Blueobelisk-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
------------------------------------------------------------
------------------
_______________________________________________
Blueobelisk-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
--
E.L. Willighagen
Department of Bioinformatics - BiGCaT
Maastricht University (http://www.bigcat.unimaas.nl/)
Homepage: http://egonw.github.com/
LinkedIn: http://se.linkedin.com/in/egonw
Blog: http://chem-bla-ics.blogspot.com/
PubList: http://www.citeulike.org/user/egonw/tag/papers
ORCID: 0000-0001-7542-0286
ImpactStory: https://impactstory.org/EgonWillighagen
Robert Hanson
2016-08-30 12:16:55 UTC
Permalink
I'd like to showcase this in an on line cheminformatics course.

http://olcc.ccce.divched.org/

Maybe some of you want to help!

Bob

On Tue, Aug 30, 2016 at 7:13 AM, Egon Willighagen <
Post by Egon Willighagen
Rajarshi, Ola,
where is the code base? Then I can look at updating the code. The QSAR
stack has not changed a lot, neither has the SMILES parsing API. I think I
can fix it without much trouble, if there is a git repository and build
instructions...
Then Ola and I can look at updating the instance in two weeks when I'm
visiting his lab.
Egon
Post by Ola Spjuth
Hi,
Yes, I can confirm that we have been hosting this for some time. We used
it in the past, but I dot think we are using it anymore. I would be happy
to continue hosting an updated version.
Ola
I think Ola Spjuth was/is hosting this.
The code is a set of REST services described at http://rest.rguha.net -
it hasn't been updated in many years. The JAR file should run and the code
should compile (I think it includes the relevant CDK dependencies).
But it's many version behind the latest CDK, so I would'nt suggest using
this for production
Post by Robert Hanson
Does anyone know whom to contact in relation to this site?
Cross-Origin Request Blocked: The Same Origin Policy disallows reading
the remote resource at http://ws1.bmc.uu.se:8182/cdk/
descriptor/org.openscience.cdk.qsar.descriptors.molecular.Ru
leOfFiveDescriptor/CCCOCOC. (Reason: CORS header
'Access-Control-Allow-Origin' missing).
It looks like a great site, but (a) I can't find any documentation on it
and (b) it isn't accessible by AJAX.
Bob Hanson
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
------------------------------------------------------------
------------------
_______________________________________________
Blueobelisk-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
--
Rajarshi Guha | http://blog.rguha.net
NIH Center for Advancing Translational Science
------------------------------------------------------------
------------------
_______________________________________________
Blueobelisk-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
------------------------------------------------------------
------------------
_______________________________________________
Blueobelisk-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
--
E.L. Willighagen
Department of Bioinformatics - BiGCaT
Maastricht University (http://www.bigcat.unimaas.nl/)
Homepage: http://egonw.github.com/
LinkedIn: http://se.linkedin.com/in/egonw
Blog: http://chem-bla-ics.blogspot.com/
PubList: http://www.citeulike.org/user/egonw/tag/papers
ORCID: 0000-0001-7542-0286
ImpactStory: https://impactstory.org/EgonWillighagen
------------------------------------------------------------
------------------
_______________________________________________
Blueobelisk-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr


If nature does not answer first what we want,
it is better to take what answer we get.

-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
Egon Willighagen
2016-08-30 12:22:33 UTC
Permalink
Post by Robert Hanson
Maybe some of you want to help!
Want is one thing... actually have time (read: some good reason to
spend project hours on it...), that's another...

Bob, you may also be interested in John May's 2D depiction, but I
guess you already have seen that:
https://cdkdepict-openchem.rhcloud.com/depict.html

I may be able to do some proofreading, which I did a bit in the past
too... Robert Belford tried to get my support a long time ago, and it
has my full moral support, but I don't have any cheminformatics
courses I teach right now, so no course material development time :(

Egon
Post by Robert Hanson
Post by Egon Willighagen
Rajarshi, Ola,
where is the code base? Then I can look at updating the code. The QSAR stack has not changed a lot, neither has the SMILES parsing API. I think I can fix it without much trouble, if there is a git repository and build instructions...
Then Ola and I can look at updating the instance in two weeks when I'm visiting his lab.
Egon
Post by Ola Spjuth
Hi,
Yes, I can confirm that we have been hosting this for some time. We used it in the past, but I dot think we are using it anymore. I would be happy to continue hosting an updated version.
Ola
I think Ola Spjuth was/is hosting this.
The code is a set of REST services described at http://rest.rguha.net - it hasn't been updated in many years. The JAR file should run and the code should compile (I think it includes the relevant CDK dependencies).
But it's many version behind the latest CDK, so I would'nt suggest using this for production
Post by Robert Hanson
Does anyone know whom to contact in relation to this site?
Cross-Origin Request Blocked: The Same Origin Policy disallows reading the remote resource at http://ws1.bmc.uu.se:8182/cdk/descriptor/org.openscience.cdk.qsar.descriptors.molecular.RuleOfFiveDescriptor/CCCOCOC. (Reason: CORS header 'Access-Control-Allow-Origin' missing).
It looks like a great site, but (a) I can't find any documentation on it and (b) it isn't accessible by AJAX.
Bob Hanson
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
------------------------------------------------------------------------------
_______________________________________________
Blueobelisk-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
--
Rajarshi Guha | http://blog.rguha.net
NIH Center for Advancing Translational Science
------------------------------------------------------------------------------
_______________________________________________
Blueobelisk-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
------------------------------------------------------------------------------
_______________________________________________
Blueobelisk-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
--
E.L. Willighagen
Department of Bioinformatics - BiGCaT
Maastricht University (http://www.bigcat.unimaas.nl/)
Homepage: http://egonw.github.com/
LinkedIn: http://se.linkedin.com/in/egonw
Blog: http://chem-bla-ics.blogspot.com/
PubList: http://www.citeulike.org/user/egonw/tag/papers
ORCID: 0000-0001-7542-0286
ImpactStory: https://impactstory.org/EgonWillighagen
------------------------------------------------------------------------------
_______________________________________________
Blueobelisk-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
--
E.L. Willighagen
Department of Bioinformatics - BiGCaT
Maastricht University (http://www.bigcat.unimaas.nl/)
Homepage: http://egonw.github.com/
LinkedIn: http://se.linkedin.com/in/egonw
Blog: http://chem-bla-ics.blogspot.com/
PubList: http://www.citeulike.org/user/egonw/tag/papers
ORCID: 0000-0001-7542-0286
ImpactStory: https://impactstory.org/EgonWillighagen

------------------------------------------------------------------------------
Rajarshi Guha
2016-08-30 12:38:54 UTC
Permalink
I confess to being in the same boat as Egon.

However, it would be handy to have a set of generally available REST
endpoints (in particular depictions).

On Tue, Aug 30, 2016 at 8:22 AM, Egon Willighagen <
Post by Egon Willighagen
Post by Robert Hanson
Maybe some of you want to help!
Want is one thing... actually have time (read: some good reason to
spend project hours on it...), that's another...
Bob, you may also be interested in John May's 2D depiction, but I
https://cdkdepict-openchem.rhcloud.com/depict.html
I may be able to do some proofreading, which I did a bit in the past
too... Robert Belford tried to get my support a long time ago, and it
has my full moral support, but I don't have any cheminformatics
courses I teach right now, so no course material development time :(
Egon
Post by Robert Hanson
On Tue, Aug 30, 2016 at 7:13 AM, Egon Willighagen <
Post by Egon Willighagen
Rajarshi, Ola,
where is the code base? Then I can look at updating the code. The QSAR
stack has not changed a lot, neither has the SMILES parsing API. I think I
can fix it without much trouble, if there is a git repository and build
instructions...
Post by Robert Hanson
Post by Egon Willighagen
Then Ola and I can look at updating the instance in two weeks when I'm
visiting his lab.
Post by Robert Hanson
Post by Egon Willighagen
Egon
Post by Ola Spjuth
Hi,
Yes, I can confirm that we have been hosting this for some time. We
used it in the past, but I dot think we are using it anymore. I would be
happy to continue hosting an updated version.
Post by Robert Hanson
Post by Egon Willighagen
Post by Ola Spjuth
Ola
I think Ola Spjuth was/is hosting this.
The code is a set of REST services described at http://rest.rguha.net
- it hasn't been updated in many years. The JAR file should run and the
code should compile (I think it includes the relevant CDK dependencies).
Post by Robert Hanson
Post by Egon Willighagen
Post by Ola Spjuth
But it's many version behind the latest CDK, so I would'nt suggest
using this for production
Post by Robert Hanson
Post by Egon Willighagen
Post by Ola Spjuth
Post by Robert Hanson
Does anyone know whom to contact in relation to this site?
Cross-Origin Request Blocked: The Same Origin Policy disallows
reading the remote resource at http://ws1.bmc.uu.se:8182/cdk/
descriptor/org.openscience.cdk.qsar.descriptors.molecular.
RuleOfFiveDescriptor/CCCOCOC. (Reason: CORS header
'Access-Control-Allow-Origin' missing).
Post by Robert Hanson
Post by Egon Willighagen
Post by Ola Spjuth
Post by Robert Hanson
It looks like a great site, but (a) I can't find any documentation on
it and (b) it isn't accessible by AJAX.
Post by Robert Hanson
Post by Egon Willighagen
Post by Ola Spjuth
Post by Robert Hanson
Bob Hanson
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
------------------------------------------------------------
------------------
Post by Robert Hanson
Post by Egon Willighagen
Post by Ola Spjuth
Post by Robert Hanson
_______________________________________________
Blueobelisk-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
--
Rajarshi Guha | http://blog.rguha.net
NIH Center for Advancing Translational Science
------------------------------------------------------------
------------------
Post by Robert Hanson
Post by Egon Willighagen
Post by Ola Spjuth
_______________________________________________
Blueobelisk-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
------------------------------------------------------------
------------------
Post by Robert Hanson
Post by Egon Willighagen
Post by Ola Spjuth
_______________________________________________
Blueobelisk-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
--
E.L. Willighagen
Department of Bioinformatics - BiGCaT
Maastricht University (http://www.bigcat.unimaas.nl/)
Homepage: http://egonw.github.com/
LinkedIn: http://se.linkedin.com/in/egonw
Blog: http://chem-bla-ics.blogspot.com/
PubList: http://www.citeulike.org/user/egonw/tag/papers
ORCID: 0000-0001-7542-0286
ImpactStory: https://impactstory.org/EgonWillighagen
------------------------------------------------------------
------------------
Post by Robert Hanson
Post by Egon Willighagen
_______________________________________________
Blueobelisk-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
--
E.L. Willighagen
Department of Bioinformatics - BiGCaT
Maastricht University (http://www.bigcat.unimaas.nl/)
Homepage: http://egonw.github.com/
LinkedIn: http://se.linkedin.com/in/egonw
Blog: http://chem-bla-ics.blogspot.com/
PubList: http://www.citeulike.org/user/egonw/tag/papers
ORCID: 0000-0001-7542-0286
ImpactStory: https://impactstory.org/EgonWillighagen
------------------------------------------------------------
------------------
_______________________________________________
Blueobelisk-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
--
Rajarshi Guha | http://blog.rguha.net
NIH Center for Advancing Translational Science
Robert Hanson
2016-08-31 04:09:37 UTC
Permalink
No, I had not seen that. Fantastic! Just what I need. I will clone this for
the OLCC course right now!

On Tue, Aug 30, 2016 at 7:22 AM, Egon Willighagen <
Post by Egon Willighagen
Post by Robert Hanson
Maybe some of you want to help!
Want is one thing... actually have time (read: some good reason to
spend project hours on it...), that's another...
Bob, you may also be interested in John May's 2D depiction, but I
https://cdkdepict-openchem.rhcloud.com/depict.html
I may be able to do some proofreading, which I did a bit in the past
too... Robert Belford tried to get my support a long time ago, and it
has my full moral support, but I don't have any cheminformatics
courses I teach right now, so no course material development time :(
Egon
Post by Robert Hanson
On Tue, Aug 30, 2016 at 7:13 AM, Egon Willighagen <
Post by Egon Willighagen
Rajarshi, Ola,
where is the code base? Then I can look at updating the code. The QSAR
stack has not changed a lot, neither has the SMILES parsing API. I think I
can fix it without much trouble, if there is a git repository and build
instructions...
Post by Robert Hanson
Post by Egon Willighagen
Then Ola and I can look at updating the instance in two weeks when I'm
visiting his lab.
Post by Robert Hanson
Post by Egon Willighagen
Egon
Post by Ola Spjuth
Hi,
Yes, I can confirm that we have been hosting this for some time. We
used it in the past, but I dot think we are using it anymore. I would be
happy to continue hosting an updated version.
Post by Robert Hanson
Post by Egon Willighagen
Post by Ola Spjuth
Ola
I think Ola Spjuth was/is hosting this.
The code is a set of REST services described at http://rest.rguha.net
- it hasn't been updated in many years. The JAR file should run and the
code should compile (I think it includes the relevant CDK dependencies).
Post by Robert Hanson
Post by Egon Willighagen
Post by Ola Spjuth
But it's many version behind the latest CDK, so I would'nt suggest
using this for production
Post by Robert Hanson
Post by Egon Willighagen
Post by Ola Spjuth
Post by Robert Hanson
Does anyone know whom to contact in relation to this site?
Cross-Origin Request Blocked: The Same Origin Policy disallows
reading the remote resource at http://ws1.bmc.uu.se:8182/cdk/
descriptor/org.openscience.cdk.qsar.descriptors.molecular.
RuleOfFiveDescriptor/CCCOCOC. (Reason: CORS header
'Access-Control-Allow-Origin' missing).
Post by Robert Hanson
Post by Egon Willighagen
Post by Ola Spjuth
Post by Robert Hanson
It looks like a great site, but (a) I can't find any documentation on
it and (b) it isn't accessible by AJAX.
Post by Robert Hanson
Post by Egon Willighagen
Post by Ola Spjuth
Post by Robert Hanson
Bob Hanson
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
------------------------------------------------------------
------------------
Post by Robert Hanson
Post by Egon Willighagen
Post by Ola Spjuth
Post by Robert Hanson
_______________________________________________
Blueobelisk-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
--
Rajarshi Guha | http://blog.rguha.net
NIH Center for Advancing Translational Science
------------------------------------------------------------
------------------
Post by Robert Hanson
Post by Egon Willighagen
Post by Ola Spjuth
_______________________________________________
Blueobelisk-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
------------------------------------------------------------
------------------
Post by Robert Hanson
Post by Egon Willighagen
Post by Ola Spjuth
_______________________________________________
Blueobelisk-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
--
E.L. Willighagen
Department of Bioinformatics - BiGCaT
Maastricht University (http://www.bigcat.unimaas.nl/)
Homepage: http://egonw.github.com/
LinkedIn: http://se.linkedin.com/in/egonw
Blog: http://chem-bla-ics.blogspot.com/
PubList: http://www.citeulike.org/user/egonw/tag/papers
ORCID: 0000-0001-7542-0286
ImpactStory: https://impactstory.org/EgonWillighagen
------------------------------------------------------------
------------------
Post by Robert Hanson
Post by Egon Willighagen
_______________________________________________
Blueobelisk-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
--
E.L. Willighagen
Department of Bioinformatics - BiGCaT
Maastricht University (http://www.bigcat.unimaas.nl/)
Homepage: http://egonw.github.com/
LinkedIn: http://se.linkedin.com/in/egonw
Blog: http://chem-bla-ics.blogspot.com/
PubList: http://www.citeulike.org/user/egonw/tag/papers
ORCID: 0000-0001-7542-0286
ImpactStory: https://impactstory.org/EgonWillighagen
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr


If nature does not answer first what we want,
it is better to take what answer we get.

-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
Robert Hanson
2016-08-31 04:45:55 UTC
Permalink
And, here it is!

https://chemapps.stolaf.edu/olcc/examples/js/CDK_image_JS.htm

Very slick! All suggestions welcome at

http://olcc.ccce.divched.org/content/prog-access

by the way...

Bob
Post by Robert Hanson
No, I had not seen that. Fantastic! Just what I need. I will clone this
for the OLCC course right now!
On Tue, Aug 30, 2016 at 7:22 AM, Egon Willighagen <
Post by Egon Willighagen
Post by Robert Hanson
Maybe some of you want to help!
Want is one thing... actually have time (read: some good reason to
spend project hours on it...), that's another...
Bob, you may also be interested in John May's 2D depiction, but I
https://cdkdepict-openchem.rhcloud.com/depict.html
I may be able to do some proofreading, which I did a bit in the past
too... Robert Belford tried to get my support a long time ago, and it
has my full moral support, but I don't have any cheminformatics
courses I teach right now, so no course material development time :(
Egon
Post by Robert Hanson
On Tue, Aug 30, 2016 at 7:13 AM, Egon Willighagen <
Post by Egon Willighagen
Rajarshi, Ola,
where is the code base? Then I can look at updating the code. The QSAR
stack has not changed a lot, neither has the SMILES parsing API. I think I
can fix it without much trouble, if there is a git repository and build
instructions...
Post by Robert Hanson
Post by Egon Willighagen
Then Ola and I can look at updating the instance in two weeks when I'm
visiting his lab.
Post by Robert Hanson
Post by Egon Willighagen
Egon
Post by Ola Spjuth
Hi,
Yes, I can confirm that we have been hosting this for some time. We
used it in the past, but I dot think we are using it anymore. I would be
happy to continue hosting an updated version.
Post by Robert Hanson
Post by Egon Willighagen
Post by Ola Spjuth
Ola
I think Ola Spjuth was/is hosting this.
The code is a set of REST services described at http://rest.rguha.net
- it hasn't been updated in many years. The JAR file should run and the
code should compile (I think it includes the relevant CDK dependencies).
Post by Robert Hanson
Post by Egon Willighagen
Post by Ola Spjuth
But it's many version behind the latest CDK, so I would'nt suggest
using this for production
Post by Robert Hanson
Post by Egon Willighagen
Post by Ola Spjuth
Post by Robert Hanson
Does anyone know whom to contact in relation to this site?
Cross-Origin Request Blocked: The Same Origin Policy disallows
reading the remote resource at http://ws1.bmc.uu.se:8182/cdk/
descriptor/org.openscience.cdk.qsar.descriptors.molecular.Ru
leOfFiveDescriptor/CCCOCOC. (Reason: CORS header
'Access-Control-Allow-Origin' missing).
Post by Robert Hanson
Post by Egon Willighagen
Post by Ola Spjuth
Post by Robert Hanson
It looks like a great site, but (a) I can't find any documentation
on it and (b) it isn't accessible by AJAX.
Post by Robert Hanson
Post by Egon Willighagen
Post by Ola Spjuth
Post by Robert Hanson
Bob Hanson
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
------------------------------------------------------------
------------------
Post by Robert Hanson
Post by Egon Willighagen
Post by Ola Spjuth
Post by Robert Hanson
_______________________________________________
Blueobelisk-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
--
Rajarshi Guha | http://blog.rguha.net
NIH Center for Advancing Translational Science
------------------------------------------------------------
------------------
Post by Robert Hanson
Post by Egon Willighagen
Post by Ola Spjuth
_______________________________________________
Blueobelisk-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
------------------------------------------------------------
------------------
Post by Robert Hanson
Post by Egon Willighagen
Post by Ola Spjuth
_______________________________________________
Blueobelisk-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
--
E.L. Willighagen
Department of Bioinformatics - BiGCaT
Maastricht University (http://www.bigcat.unimaas.nl/)
Homepage: http://egonw.github.com/
LinkedIn: http://se.linkedin.com/in/egonw
Blog: http://chem-bla-ics.blogspot.com/
PubList: http://www.citeulike.org/user/egonw/tag/papers
ORCID: 0000-0001-7542-0286
ImpactStory: https://impactstory.org/EgonWillighagen
------------------------------------------------------------
------------------
Post by Robert Hanson
Post by Egon Willighagen
_______________________________________________
Blueobelisk-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
--
E.L. Willighagen
Department of Bioinformatics - BiGCaT
Maastricht University (http://www.bigcat.unimaas.nl/)
Homepage: http://egonw.github.com/
LinkedIn: http://se.linkedin.com/in/egonw
Blog: http://chem-bla-ics.blogspot.com/
PubList: http://www.citeulike.org/user/egonw/tag/papers
ORCID: 0000-0001-7542-0286
ImpactStory: https://impactstory.org/EgonWillighagen
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr


If nature does not answer first what we want,
it is better to take what answer we get.

-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
Rajarshi Guha
2016-08-30 12:19:41 UTC
Permalink
Sources are at http://rest.rguha.net - probably a good idea to put them in
a repo and mavenize. Might also be worth moving to Jersey

On Tue, Aug 30, 2016 at 8:13 AM, Egon Willighagen <
Post by Egon Willighagen
Rajarshi, Ola,
where is the code base? Then I can look at updating the code. The QSAR
stack has not changed a lot, neither has the SMILES parsing API. I think I
can fix it without much trouble, if there is a git repository and build
instructions...
Then Ola and I can look at updating the instance in two weeks when I'm
visiting his lab.
Egon
Post by Ola Spjuth
Hi,
Yes, I can confirm that we have been hosting this for some time. We used
it in the past, but I dot think we are using it anymore. I would be happy
to continue hosting an updated version.
Ola
I think Ola Spjuth was/is hosting this.
The code is a set of REST services described at http://rest.rguha.net -
it hasn't been updated in many years. The JAR file should run and the code
should compile (I think it includes the relevant CDK dependencies).
But it's many version behind the latest CDK, so I would'nt suggest using
this for production
Post by Robert Hanson
Does anyone know whom to contact in relation to this site?
Cross-Origin Request Blocked: The Same Origin Policy disallows reading
the remote resource at http://ws1.bmc.uu.se:8182/cdk/
descriptor/org.openscience.cdk.qsar.descriptors.molecular.Ru
leOfFiveDescriptor/CCCOCOC. (Reason: CORS header
'Access-Control-Allow-Origin' missing).
It looks like a great site, but (a) I can't find any documentation on it
and (b) it isn't accessible by AJAX.
Bob Hanson
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
------------------------------------------------------------
------------------
_______________________________________________
Blueobelisk-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
--
Rajarshi Guha | http://blog.rguha.net
NIH Center for Advancing Translational Science
------------------------------------------------------------
------------------
_______________________________________________
Blueobelisk-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
------------------------------------------------------------
------------------
_______________________________________________
Blueobelisk-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
--
E.L. Willighagen
Department of Bioinformatics - BiGCaT
Maastricht University (http://www.bigcat.unimaas.nl/)
Homepage: http://egonw.github.com/
LinkedIn: http://se.linkedin.com/in/egonw
Blog: http://chem-bla-ics.blogspot.com/
PubList: http://www.citeulike.org/user/egonw/tag/papers
ORCID: 0000-0001-7542-0286
ImpactStory: https://impactstory.org/EgonWillighagen
--
Rajarshi Guha | http://blog.rguha.net
NIH Center for Advancing Translational Science
Egon Willighagen
2016-08-30 12:22:59 UTC
Permalink
OK, thanks! I'll have a look at it asap!

Egon
Sources are at http://rest.rguha.net - probably a good idea to put them in a
repo and mavenize. Might also be worth moving to Jersey
On Tue, Aug 30, 2016 at 8:13 AM, Egon Willighagen
Post by Egon Willighagen
Rajarshi, Ola,
where is the code base? Then I can look at updating the code. The QSAR
stack has not changed a lot, neither has the SMILES parsing API. I think I
can fix it without much trouble, if there is a git repository and build
instructions...
Then Ola and I can look at updating the instance in two weeks when I'm
visiting his lab.
Egon
Post by Ola Spjuth
Hi,
Yes, I can confirm that we have been hosting this for some time. We used
it in the past, but I dot think we are using it anymore. I would be happy to
continue hosting an updated version.
Ola
I think Ola Spjuth was/is hosting this.
The code is a set of REST services described at http://rest.rguha.net -
it hasn't been updated in many years. The JAR file should run and the code
should compile (I think it includes the relevant CDK dependencies).
But it's many version behind the latest CDK, so I would'nt suggest using
this for production
Post by Robert Hanson
Does anyone know whom to contact in relation to this site?
Cross-Origin Request Blocked: The Same Origin Policy disallows reading
the remote resource at
http://ws1.bmc.uu.se:8182/cdk/descriptor/org.openscience.cdk.qsar.descriptors.molecular.RuleOfFiveDescriptor/CCCOCOC.
(Reason: CORS header 'Access-Control-Allow-Origin' missing).
It looks like a great site, but (a) I can't find any documentation on it
and (b) it isn't accessible by AJAX.
Bob Hanson
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
------------------------------------------------------------------------------
_______________________________________________
Blueobelisk-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
--
Rajarshi Guha | http://blog.rguha.net
NIH Center for Advancing Translational Science
------------------------------------------------------------------------------
_______________________________________________
Blueobelisk-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
------------------------------------------------------------------------------
_______________________________________________
Blueobelisk-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
--
E.L. Willighagen
Department of Bioinformatics - BiGCaT
Maastricht University (http://www.bigcat.unimaas.nl/)
Homepage: http://egonw.github.com/
LinkedIn: http://se.linkedin.com/in/egonw
Blog: http://chem-bla-ics.blogspot.com/
PubList: http://www.citeulike.org/user/egonw/tag/papers
ORCID: 0000-0001-7542-0286
ImpactStory: https://impactstory.org/EgonWillighagen
--
Rajarshi Guha | http://blog.rguha.net
NIH Center for Advancing Translational Science
--
E.L. Willighagen
Department of Bioinformatics - BiGCaT
Maastricht University (http://www.bigcat.unimaas.nl/)
Homepage: http://egonw.github.com/
LinkedIn: http://se.linkedin.com/in/egonw
Blog: http://chem-bla-ics.blogspot.com/
PubList: http://www.citeulike.org/user/egonw/tag/papers
ORCID: 0000-0001-7542-0286
ImpactStory: https://impactstory.org/EgonWillighagen

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