Re: [BlueObelisk-discuss] owner/operator of online web service for CDK?

2016-08-30 Thread Robert Hanson 
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

On Tue, Aug 30, 2016 at 11:09 PM, Robert Hanson  wrote:

> 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 <
> egon.willigha...@gmail.com> wrote:
>
>> On Tue, Aug 30, 2016 at 2:16 PM, Robert Hanson 
>> wrote:
>> > 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
>>
>> > On Tue, Aug 30, 2016 at 7:13 AM, Egon Willighagen <
>> egon.willigha...@gmail.com> wrote:
>> >>
>> >>
>> >> 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
>> >>
>> >>
>> >> On Tue, Aug 30, 2016 at 10:21 AM, Ola Spjuth 
>> wrote:
>> >>>
>> >>> 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 
>> wrote:
>> >>>
>> >>> 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
>> >>>
>> >>> On Mon, Aug 29, 2016 at 7:48 PM, Robert Hanson 
>> 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.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
>>  Blueobelisk-discuss@lists.sourceforge.net
>>  https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
>> 
>> >>>
>> >>>
>> >>>
>> >>> --
>> >>> Rajarshi Guha | http://blog.rguha.net
>> >>> NIH Center for Advancing Translational Science
>> >>> 
>> --
>> >>> ___
>> >>> Blueobelisk-discuss mailing list
>> >>> Blueobelisk-discuss@lists.sourceforge.net
>> >>> https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
>> >>>
>> >>>
>> >>>
>> >>> 
>> --
>> >>>
>> >>> ___
>> >>> Blueobelisk-discuss mailing list
>> >>> Blueobelisk-discuss@lists.sourceforge.net
>> >>> 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:

Re: [BlueObelisk-discuss] owner/operator of online web service for CDK?

2016-08-30 Thread Rajarshi Guha 
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 <
egon.willigha...@gmail.com> wrote:

> On Tue, Aug 30, 2016 at 2:16 PM, Robert Hanson  wrote:
> > 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
>
> > On Tue, Aug 30, 2016 at 7:13 AM, Egon Willighagen <
> egon.willigha...@gmail.com> wrote:
> >>
> >>
> >> 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
> >>
> >>
> >> On Tue, Aug 30, 2016 at 10:21 AM, Ola Spjuth 
> wrote:
> >>>
> >>> 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 
> wrote:
> >>>
> >>> 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
> >>>
> >>> On Mon, Aug 29, 2016 at 7:48 PM, Robert Hanson 
> 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-discuss@lists.sourceforge.net
>  https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
> 
> >>>
> >>>
> >>>
> >>> --
> >>> Rajarshi Guha | http://blog.rguha.net
> >>> NIH Center for Advancing Translational Science
> >>> 
> --
> >>> ___
> >>> Blueobelisk-discuss mailing list
> >>> Blueobelisk-discuss@lists.sourceforge.net
> >>> https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
> >>>
> >>>
> >>>
> >>> 
> --
> >>>
> >>> ___
> >>> Blueobelisk-discuss mailing list
> >>> Blueobelisk-discuss@lists.sourceforge.net
> >>> 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: -0001-7542-0286
> >> ImpactStory: https://impactstory.org/EgonWillighagen
> >>
> >> 
> --
> >>
> >> ___
> >> Blueobelisk-discuss mailing list
> >> Blueobelisk-discuss@lists.sourceforge.net
> >>

Re: [BlueObelisk-discuss] owner/operator of online web service for CDK?

2016-08-30 Thread Egon Willighagen 
OK, thanks! I'll have a look at it asap!

Egon

On Tue, Aug 30, 2016 at 2:19 PM, Rajarshi Guha  wrote:
> 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
>  wrote:
>>
>>
>> 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
>>
>>
>> On Tue, Aug 30, 2016 at 10:21 AM, Ola Spjuth 
>> wrote:
>>>
>>> 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  wrote:
>>>
>>> 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
>>>
>>> On Mon, Aug 29, 2016 at 7:48 PM, Robert Hanson 
>>> 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-discuss@lists.sourceforge.net
 https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss

>>>
>>>
>>>
>>> --
>>> Rajarshi Guha | http://blog.rguha.net
>>> NIH Center for Advancing Translational Science
>>>
>>> --
>>> ___
>>> Blueobelisk-discuss mailing list
>>> Blueobelisk-discuss@lists.sourceforge.net
>>> https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
>>>
>>>
>>>
>>>
>>> --
>>>
>>> ___
>>> Blueobelisk-discuss mailing list
>>> Blueobelisk-discuss@lists.sourceforge.net
>>> 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: -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: -0001-7542-0286
ImpactStory: https://impactstory.org/EgonWillighagen

--
___
Blueobelisk-discuss mailing list
Blueobelisk-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss

Re: [BlueObelisk-discuss] owner/operator of online web service for CDK?

2016-08-30 Thread Egon Willighagen 
On Tue, Aug 30, 2016 at 2:16 PM, Robert Hanson  wrote:
> 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

> On Tue, Aug 30, 2016 at 7:13 AM, Egon Willighagen 
>  wrote:
>>
>>
>> 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
>>
>>
>> On Tue, Aug 30, 2016 at 10:21 AM, Ola Spjuth  
>> wrote:
>>>
>>> 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  wrote:
>>>
>>> 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
>>>
>>> On Mon, Aug 29, 2016 at 7:48 PM, Robert Hanson  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-discuss@lists.sourceforge.net
 https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss

>>>
>>>
>>>
>>> --
>>> Rajarshi Guha | http://blog.rguha.net
>>> NIH Center for Advancing Translational Science
>>> --
>>> ___
>>> Blueobelisk-discuss mailing list
>>> Blueobelisk-discuss@lists.sourceforge.net
>>> https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
>>>
>>>
>>>
>>> --
>>>
>>> ___
>>> Blueobelisk-discuss mailing list
>>> Blueobelisk-discuss@lists.sourceforge.net
>>> 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: -0001-7542-0286
>> ImpactStory: https://impactstory.org/EgonWillighagen
>>
>> --
>>
>> ___
>> Blueobelisk-discuss mailing list
>> Blueobelisk-discuss@lists.sourceforge.net
>> 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

Re: [BlueObelisk-discuss] owner/operator of online web service for CDK?

2016-08-30 Thread Robert Hanson 
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 <
egon.willigha...@gmail.com> wrote:

>
> 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
>
>
> On Tue, Aug 30, 2016 at 10:21 AM, Ola Spjuth 
> wrote:
>
>> 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  wrote:
>>
>> 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
>>
>> On Mon, Aug 29, 2016 at 7:48 PM, Robert Hanson 
>> 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.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
>>> Blueobelisk-discuss@lists.sourceforge.net
>>> https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
>>>
>>>
>>
>>
>> --
>> Rajarshi Guha | http://blog.rguha.net
>> NIH Center for Advancing Translational Science
>> 
>> --
>> ___
>> Blueobelisk-discuss mailing list
>> Blueobelisk-discuss@lists.sourceforge.net
>> https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
>>
>>
>>
>> 
>> --
>>
>> ___
>> Blueobelisk-discuss mailing list
>> Blueobelisk-discuss@lists.sourceforge.net
>> 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: -0001-7542-0286
> ImpactStory: https://impactstory.org/EgonWillighagen
>
> 
> --
>
> ___
> Blueobelisk-discuss mailing list
> Blueobelisk-discuss@lists.sourceforge.net
> 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
--
___
Blueobelisk-discuss mailing list
Blueobelisk-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss

Re: [BlueObelisk-discuss] owner/operator of online web service for CDK?

2016-08-30 Thread 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


On Tue, Aug 30, 2016 at 10:21 AM, Ola Spjuth 
wrote:

> 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  wrote:
>
> 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
>
> On Mon, Aug 29, 2016 at 7:48 PM, Robert Hanson  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.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
>>
>>
>> 
>> --
>>
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Re: [BlueObelisk-discuss] owner/operator of online web service for CDK?

2016-08-30 Thread 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


On 30 aug. 2016, at 03:04, Rajarshi Guha 
> wrote:

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

On Mon, Aug 29, 2016 at 7:48 PM, Robert Hanson 
> 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

--
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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


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Re: [BlueObelisk-discuss] owner/operator of online web service for CDK?

2016-08-29 Thread Rajarshi Guha 
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

On Mon, Aug 29, 2016 at 7:48 PM, Robert Hanson  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
>
>
> 
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