[AMBER] NAB extract residue from molecule

From: Le,Huy Tuan <huy.le.louisville.edu>
Date: Wed, 19 Jun 2013 18:31:12 +0000

Dear Amber community,

Is there anyways to extract a residue from a molecule? For example:

molecule mol;
residue res;

mol=getpdb("test.pdb");
res= //extract residue 2 from mol

printf("The name of residue is %s \n", res.resname);

Is there anyways that this is possible? Do NAB save all the residue attributes from the pdb file?

Thank you in advance for any help you can provide.

Huy Le


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Received on Wed Jun 19 2013 - 12:00:04 PDT