[PyMOL] Problem starting Pymol in a Python script

2003-11-07 Thread Tom Walsh
Hi, I'm trying to start Pymol (version 0.93) in a Python script, using the first method described in __init__.py i.e.: import pymol pymol.finish_launching() I've set the PYTHONPATH and PYMOL_PATH variables as required but I get this error message: - Traceback (innermost last): File "py

Re: [PyMOL] Problem starting Pymol in a Python script

2003-11-07 Thread Truls A. Tangstad
On Fri, Nov 07, 2003 at 01:52:42PM +, Tom Walsh wrote: > > Hi, > > I'm trying to start Pymol (version 0.93) in a Python script, > using the first method described in __init__.py i.e.: > > import pymol > > pymol.finish_launching() > > I've set the PYTHONPATH and PYMOL_PATH variables as req

[PyMOL] aa residues disconnected from 'fancy helices'?

2003-11-07 Thread Michael Bovee
Hi all, I'm just starting to try out PyMOL (fink package 0.90-2, running through Apple's X11beta2, on a Lombard G3PB, MacOS 10.2.4). Its much easier to learn that I thought it would be! Well done Warren, and codevelopers! One puzzling thing I've noticed: when I build a model of my protein of i

Re: [PyMOL] aa residues disconnected from 'fancy helices'?

2003-11-07 Thread Michael Bovee
Friday, November 7, 2003, 8:50:13 AM, you wrote: MB> ...I built a model of my protein of interest using 'set cartoon_fancy_helices,1'...but sidechains of MB>amino acids that reside on 'strand' regions appear to float in midair and do not connect to the strand MB>backbone... On Friday, Novembe

RE: [PyMOL] aa residues disconnected from 'fancy helices'?

2003-11-07 Thread Warren L. DeLano
Michael, That's because sheet's aren't flat -- cartoons aren't reality. set cartoon_flat_sheets, off set cartoon_smooth_loops, off In order to force the cartoons to follow the true CA trace. Cheers, Warren -- mailto:war...@delanoscientific.com Warren L. DeLano, Ph.D. Principal Scientist DeLa

[PyMOL] resolution

2003-11-07 Thread slovic
Hi, will PyMol only save images at 72dpi, or can I dial that up somehow? thanks Avram Slovic -- Avram M. Slovic Biochemistry and Molecular Biophysics University of Pennsylvania 420 Curie Blvd. 1010 Stellar Chance Bldg. Philadelphia, PA 19104 L:215-898-3496

[PyMOL] RE: X11 1.0 instability

2003-11-07 Thread Warren L. DeLano
Jack, I posted some instructions onto the list a while back, but it's pretty simple: # load the PHI map and model load phimap.phi load prot.pdb # show a surface show surface, prot # create a color ramp based on the potential ramp_new ramp, phimap # now apply that color_ramp to the protein s

[PyMOL] homologous alignments?

2003-11-07 Thread Michael Bovee
Hi there, I'm switching to pymol from swiss pdb viewer because I simply needed better quality final images, but one of the coolest features of spdbv was the 'magic fit' where a single mouse click would superpose overall alignment of, say, the same protein from two different bacterial organisms

RE: [PyMOL] homologous alignments?

2003-11-07 Thread Warren L. DeLano
Michael, Welcome to PyMOL! I don't think PyMOL is a replacement for SPDV -- the feature sets are distinct, and you should be able to use both together. Yes, I think "align" is what you want. After... load x.pdb load y.pdb This would do an all-matched-atoms alignment: align x, y And this wou