Technical Support Forum Index
Technical Support Forum
Access ChemAxon scientists and developers here. For registration and login issues contact website support.

Support Ticket System is replacing forum

This forum was converted into a searchable archive. You cannot add posts here any more. For support please use our new Ticket System.

Create your first ticket
calculation of a tanimoto similarity matrix in cmd
To watch this topic for replies  Register (enables digests) or give email address:
This topic is locked: you cannot edit posts or make replies.
Display posts from previous:   
    View previous topic :: View next topic    
Author Message
Eleftherios

Joined: 25 Mar 2015
Posts: 28

View user's profile

Back to top
Link to postPosted: Thu Nov 05, 2015 6:14 pmPost subject: calculation of a tanimoto similarity matrix in cmd Reply with quote

Please put my question to the right topic as I am not sure where to post it!

I used to calculate a tanimoto similarity matrix with the following command in cmd

screenmd file.sdf file.sdf g k CF M Tanimoto o output.txt

I am trying again after several months and I am getting the following error

Could you please tell me what is wrong?

The same command was working fine a few months ago.

Thank you.

Daniel
ChemAxon personnel
Joined: 22 Jan 2012
Posts: 315

View user's profile

Back to top
Link to postPosted: Tue Nov 17, 2015 3:09 pmPost subject: Reply with quote

Hi,

Thank you for sending us this question. However, I couldn't reproduce the issue you are talking about. I tested this command with the latest screenmd version and it works. Can you send us the version you used?

Thanks,

Daniel

Eleftherios

Joined: 25 Mar 2015
Posts: 28

View user's profile

Back to top
Link to postPosted: Thu Nov 19, 2015 6:41 pmPost subject: Reply with quote

How can I check the version please?

Daniel
ChemAxon personnel
Joined: 22 Jan 2012
Posts: 315

View user's profile

Back to top
Link to postPosted: Fri Nov 20, 2015 11:02 amPost subject: Reply with quote

Hi,

You can check the version of screenmd used by typing

screenmd -h

This will print the help message on the command line. In the first line of the help message you will find the version number. For example in my case this line is :

$ screenmd -h
ScreenMD - Molecular Descriptor Screening 15.10.26.0, (C) 2002-2015 ChemAxon Ltd.
Screens a given set of molecules against a given set of actives.
I hope this helps.
Daniel
Eleftherios

Joined: 25 Mar 2015
Posts: 28

View user's profile

Back to top
Link to postPosted: Fri Nov 27, 2015 6:53 pmPost subject: Reply with quote

Dear Daniel,

Thank you.

I run the command and my version is 15.3.16.0

How can I update it please?

I don't understand why it is not working as it used to.

Kind Regards,

Terry

Daniel
ChemAxon personnel
Joined: 22 Jan 2012
Posts: 315

View user's profile

Back to top
Link to postPosted: Mon Nov 30, 2015 11:37 amPost subject: Reply with quote

Dear Terry,

Unfortunately I didn't manage to reproduce the error with your version. However, the best thing you can do now is to update your version to the latest release. To do this you have to update your JChem on your computer:

https://www.chemaxon.com/download/jchem-suite/

Just follow the download instructions on the website and that will help you.

I hope this helps.

Daniel

This topic is locked: you cannot edit posts or make replies.
Page 1 of 1


To watch this topic for replies   Register (enables digests) or give email address  
Jump to:  
You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot vote in polls in this forum
You cannot attach files in this forum
You cannot download files in this forum