calculation of a tanimoto similarity matrix in cmd

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.

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

How can I check the version please?

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.

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

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