Dear Chimera developer,
I would like to
perform the same operation on multiple files and I know that this can be done
using a loop. However, I am not sure how to write the corresponding command or
script. Therefore, could you please help me by writing a script that can
perform the following operation? I have installed the 64-bit version of Chimera
Headless Linux on my Windows subsystem.
Thank you very
much for your help!
###################################
operation:
File-> open
-> abc.pdb
Select->
structure->ligand
Actions-> delete
File->save
PDB->rec_noH.PDB
Actions->Surface->show
Tools
->structure editing->write dms->rec.ms
Actions->Surface->hide
Tools
->structure editing->Dock prep->rec_charged.mol2 ##select the
parameter of Unspecified(determined by method)
File-> open
-> abc.pdb
Select->
structure->ligand
Select->
invert (all models)
Actions->
delete
File->save
mol2->ligand_site.mol2
###################################
Sincerely,
Mingsong Wu