VMD-L Mailing List

From: Seth Tanner (cryoexp_at_gmail.com)
Date: Wed Feb 02 2011 - 12:49:37 CST

Dear psfgen developers,

I want to point out a minor but still an important detail that lacks
in the psfgen1.4 implementation.

The program gives the users the ability to define their sequences on
their own. However there are 'alias' commands working only if the
sequence or the coordinates are supplied from a PDB file. That is, the
following code is not usable when you use information external to a
PDB file.
******************
pdbalias atom ILE CD1 CD
pdbalias residue HIS HSD
******************
I hope this utility would be available in the next version.

Thanks for reading,

Seth