Hello,
I try to perform mutations on a peptide by removing the sidechain atoms
and replacing the old residue names with new residue names, then letting
tleap add in the missing atoms. I check the chirality of the residues and
find out that I don't have the correct chirality (i.e., I compute the
chirality dihedral angles and obtain both positive and negative numbers).
Is there any better way to do mutations with Amber/tleap? How can I fix
the incorrect chirality?
Thank you,
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Received on Tue Jul 09 2013 - 02:30:04 PDT
