[modeller_usage] Re: generate a psf file

[Modeller Caretaker <>]

On 8/8/23 9:43 AM, sedmo.info--- via modeller_usage wrote:
> I have used modeller to generate a pdb file. unfortunately, the pdb
> file is not regular as the columns 10 and 11 interfere. What can I
> do? I can not use the pdb file to generate a psf file. 

Can you be a bit more specific? Perhaps show part of the problematic PDB 
file. Modeller should generate conformant PDB files. I'm not sure what 
you mean by "columns 10 and 11 interfere". If you're talking about the 
ATOM records those should just be part of the serial number:
https://www.wwpdb.org/documentation/file-format-content/format33/sect9.html#ATOM

BTW, Modeller can generate PSF files itself:
https://salilab.org/modeller/10.4/manual/node187.html

	Ben Webb, Modeller Caretaker
-- 
             https://salilab.org/modeller/
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