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Generate template parameter file for a polymer

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Generate template parameter file for a polymer

Hi all!

I am trying to generate a file with all the parameters for the monomer of a rigid polymer.

Is there any special way? Because the param file that I obtain is different from, for example, aminoacids. 

Thank you in advance.


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Fri, 2022-06-10 11:05

By "rigid polymer" you mean a polymer that is composed of residues with a non-alpha amino acid backbone as opposed to simply alpha-L-amino acid that are not the 21 canonical amino acids (HIS=HIE+HID)? 

Weirdo backbone peptide (peptoids) are mentioned in

If you look at the database folder, under chemical --> residue type sets (a params file defines a "residue type") --> fa_standard or somesuch --> residues, you will find several unsual backbones, which may help.

But before even starting do use the closest pre-exisiting peptoid to test your intended script, because chances are the system will blow up.


Fri, 2022-06-17 10:38