[Chimera-users] Sorting through compounds on chimera

[Elaine Meng]

Hello Sonia,
I don't think Chimera will be of any use in this matter.  You would probably need to write your own script or program to split the file, or find some other existing software that does it.  A LONG time ago I wrote a fortran program to do this for mol2 files, but it's not available (even if I could find it, it was not meant for others to use).
Best,
Elaine 
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Elaine C. Meng, Ph.D.                       
UCSF Chimera(X) team
Department of Pharmaceutical Chemistry
University of California, San Francisco


> On Jan 12, 2023, at 8:03 AM, Shinhmar, Sonia (2020) via Chimera-users <chimera-users at cgl.ucsf.edu> wrote:
> 
> Hello, 
> I hope this email finds you well. 
> I'm writing to ask for some help regarding a file that is composed of >15,000 compounds that I would like to separate into 3000 compound groups/ lists. 
> How would I go about doing this?
> Thank you in advance,
> Sonia