RE: [PyMOL] Python scripting for Pymol

2006-01-08 Thread Jerome Pansanel
> . Fax:(650)-872-0273 Cell:(650)-346-1154 > . mailto:war...@delsci.com > > > > -Original Message- > > From: pymol-users-ad...@lists.sourceforge.net > > [mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of > > Jerome PANSANEL >

RE: [PyMOL] Python scripting for Pymol

2006-01-06 Thread Warren DeLano
uary 06, 2006 5:06 AM > To: pymol-users@lists.sourceforge.net > Subject: [PyMOL] Python scripting for Pymol > > Hi, > > I writing a small script in python, in order to export png > picture from a MDL sdfile. > Here is a sample of the function : > > def mol2png(ctf

Re: [PyMOL] Python scripting for Pymol

2006-01-06 Thread gilleain torrance
Hi, I tried a similar, but simpler, example : def mol2png(name): cmd.png(name) cmd.delete(name) called as 'mol2png("1a2pA")', given that I have an object called "1a2pA" loaded. It works just fine on my laptop (mac). Odd. gilleain torrance On 1/6/06, Jerome PANSANEL wrote: > > Hi, >

[PyMOL] Python scripting for Pymol

2006-01-06 Thread Jerome PANSANEL
Hi, I writing a small script in python, in order to export png picture from a MDL sdfile. Here is a sample of the function : def mol2png(ctfile,name): pymol.cmd.read_molstr(ctfile,name) pymol.cmd.set("valence",1) pymol.cmd.color("black","elem c") pymol.cmd.color("red","elem o")