Dear Pymol-users:
We are working on an interface between PYMOL and ECEPP/3 inorder to
perform a conformational search in small peptides. We have done most of
the dirty work, but still can not figure out how to include coordinates
for End Groups other than the ones given in the modules/chempy subdirectory.
To make myself clear, I want to be able to build peptides that would
contain the following amino and carboxyl end groups:
AMINO-H2
AMINO-H3+
AMINO-CH3
AMINO-COCH3
FORMYL
CARBOXYL-COOH
CARBOXYL-O
CARBOXYL-CH3
CARBOXYL-NHCH3
METHYL-ESTER
ETHYL-ESTER
Any help surely will be appreciated. Thank you all in advance.
Cheers,
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