RE: [PyMOL] Question about surface calculation

2004-03-15 Thread Warren DeLano
red Berkovitch > Sent: Saturday, March 13, 2004 9:28 PM > To: pymol-users@lists.sourceforge.net > Subject: [PyMOL] Question about surface calculation > > Hi All, > > When I type "show surface", how is that surface calculated? > Is it a true solvent-accessible s

Re: [PyMOL] Question about surface calculation

2004-03-14 Thread Lieven Buts
On Sunday 14 March 2004 06:27, Fred Berkovitch wrote: > When I type "show surface", how is that surface calculated? Is it a true > solvent-accessible surface? Does PyMol take into account heteroatoms > (e.g., a metal or an Fe-S cluster) in the calculation? As for the latter question, this is det

[PyMOL] Question about surface calculation

2004-03-13 Thread Fred Berkovitch
Hi All, When I type "show surface", how is that surface calculated? Is it a true solvent-accessible surface? Does PyMol take into account heteroatoms (e.g., a metal or an Fe-S cluster) in the calculation? -Fred