[PyMOL] RE: Surfacing Heme's (ie. HETATMS)

2002-05-17 Thread DeLano, Warren
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

RE: [PyMOL] Wizard and External GUI documenation

2002-05-17 Thread DeLano, Warren
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