VMD-L Mailing List

From: Chang, Christopher (Christopher_Chang_at_nrel.gov)
Date: Wed Sep 10 2008 - 18:52:43 CDT

Hi all,

   Is there an equivalent functionality to the Tcl "measure hbonds <distance
cutoff> <angle cutoff> $selection1" command through the Python interface? A
quick grep through the source code did not suggest there was. If indeed not,
what might be the best means to produce a Python list of atoms
hydrogen-bonded to atoms in an atom selection?

Thanks,

Chris