Hi Michel,
PyMOL doesn't surface HETATM's by default. A HEME is labeled a hetero-group
in the PDB and is ignored by the surfacing routine (the ignore flag is set for
those atoms). To fix that, you need to clear the ignore flag for the HEM atoms:
flag ignore, hem/, clear
rebuild
Alternativ
No, not yet. The best thing to do is just study the code for those that
currently exist. The wizard functionality is really a stop-gap measure...in
the future we'll build a more robust user interface.
Cheers,
Warren
--
mailto:war...@sunesis.com
Warren L. DeLano, Ph.D.
Informatics Manager