[Chimera-users] Writing each rotamers to individual PDB file

Chemmama, Ilan Ilan.Chemmama at ucsf.edu
Tue Feb 16 19:24:07 PST 2021


Dear Developers, 

I am trying to write a PDB for each rotamer in Chimera. 
I run the command: 
`swapaa RES :RESNUM lib Dunbrack criteria manual`

I get the enumeration for each rotamers from SCRWL library. 
I was wondering if there was a way to write each of those rotamers into separate PDB file using a script. 
Some residues have large number of possible rotamers and manually selecting the rotamer and saving the PDB file is not tractable. 

Thank you very much ! 
Ilan


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