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

[Broto Santoso]

Thank you Elaine, your information really helped me a lot. Finally, I got
the right url link for many Chimera Scripts:
https://www.rbvi.ucsf.edu//trac/chimera/wiki/Scripts

And I have already found what I want in here:
https://sourceforge.net/p/rdkit/mailman/message/36610151/

Thanks again,

Best regards,

Broto Santoso

On Mon, 16 Jan 2023 at 00:12, Elaine Meng <meng at cgl.ucsf.edu> wrote:

> 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
> > Fakultas Farmasi UMS
> > mobile: +6282136414379 (no call, sms only)
> > My Youtube Channel
>
>

-- 
*Broto Santoso*
Laboratorium Kimia Farmasi
Fakultas Farmasi UMS
mobile: +6282136414379 (*no call, sms only*)
My Youtube Channel
<https://www.youtube.com/channel/UCCiJ8VZ1Vd3rVtywWkm4GyQ>
*Please, do not share GDrive or attachment*
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