[chimera-dev] How to make script to run chimera command like add H and charged for multiple file

[Elaine Meng]

Hi  Broto,
I can't really say anthing more than is already in the written help:

First, figure out the Chimera commands that you need, such as by typing them into the command line.

Second, after you figure out the Chimera commands, then this page explains how to put them into a python script and run on multiple structure files.
<https://www.rbvi.ucsf.edu/chimera/docs/ProgrammersGuide/basicPrimer.html>

See the Programmer's Guide for more info and example scripts:
<https://www.rbvi.ucsf.edu/chimera/docs/ProgrammersGuide/index.html>

I hope this helps,
Elaine
-----
Elaine C. Meng, Ph.D.                       
UCSF Chimera(X) team
Department of Pharmaceutical Chemistry
University of California, San Francisco

> On Jan 14, 2023, at 4:14 AM, Broto Santoso via Chimera-dev <chimera-dev at cgl.ucsf.edu> wrote:
> 
> Dear Chimera Staff,
> 
> I want to run some chimera commands (such as add hydrogen and add charge) via python script for multiple files and save them as mol2 or pdb. I have read some examples, but still know nothing. Would you like to give me more about the script, how to make it easily?
> 
> Thank you
> 
> Best regards,
> 
> -- 
> Broto Santoso
> Laboratorium Kimia Farmasi
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