pymol in powerpoint/openoffice was Re: [PyMOL] pngs and structures simultaneously?

2005-06-17 Thread Sabuj Pattanayek
Hi Has anyone thought about a way to embed pymol (or other molecular modelling apps) directly into openoffice or powerpoint similar to what accelrys weblab activex viewer does in powerpoint? Can this already be done? This would simultaneously solve a problem like that described below, would be goo

[PyMOL] pngs and structures simultaneously?

2005-06-17 Thread Andreas Henschel
Hi there, Is it possible to display both a png file (using load_png) AND some molecule at the same time? It sure sounds geeky, but the rationale is that I would like to do a short presentation completely in pymol. I want to load some powerpoint slides (converted to png) in the background and have

Re: [PyMOL] how to get pymol sec structure assignments printed out to a file

2005-06-17 Thread hari jayaram
Thanks a tonne!!! It worked so I did ffout=open('secstruc.txt','w') iterate name ca, ffout.write(repr((chain, resi, ss))) ffout.close() And the file was written to the pymol install directory.. This has convinced me of the power of pymols design and python in general..lots of learning to do. Th

RE: [PyMOL] Pymol on MacMini: performances

2005-06-17 Thread Warren DeLano
> There's no Altivec in the G4 processor that drives the mac mini. According to Apple, the mini's do have a "Velocity Engine" aka Altivec. However, PyMOL doesn't itself use it, though we seriously considering writing some Ativec code for MacPyMOL back when the G5 came out. With Apple now going

[PyMOL] need help on energy calculations

2005-06-17 Thread Teresa
Hi guys I know that this is a list for questions about pymol but I need help in calculating energies from breaking and/or creating bonds. I'm new at this crystallography stuff so I don't even know where to start looking for a program that could calculate these energies. I don't know if pymol is

Re: [PyMOL] how to get pymol sec structure assignments printed out to a file

2005-06-17 Thread T.A.Wassenaar
I think you can try: ffout=open('secstruc.txt','w') iterate name ca, ffout.write(repr((chain, resi, ss))) Hope it works, but otherwise Warren will correct me :) Tsjerk On Fri, 17 Jun 2005 11:12:53 -0400 hari jayaram wrote: I am sorry for being so needy ..Is there a way to quickly write thi

[PyMOL] how to get pymol sec structure assignments printed out to a file

2005-06-17 Thread hari jayaram
I am sorry for being so needy ..Is there a way to quickly write this out to a file..I am a total python non savant and I have spent the last hour struggling with file open and write commands and gotten nowhere. So how do I write out the result of iterate name ca, print chain,resi,ss to a file .

[PyMOL] how to get pymol sec structure assignments printed out

2005-06-17 Thread hari jayaram
Hi I was just wondering how to get the pymol secondary structure assignments printed out . I was looking to manually do this for all the helix and strand starts and stops..but I was wondering if there is some way to have it print to the screen or a file the assignments it uses for the cartoons.

Re: [PyMOL] multi-residues and -chains selection

2005-06-17 Thread Sebastien Moretti
select selection, (resi 26+57+70 in chain a) and (resi 12 in chain d) ^^^ You want 'or' not 'and'. (Think of a Venn diagram - with 'and' you are looking for residues which are in both chain a and chain d, which is impossible) Cheers, Charlie T

[PyMOL] multi-residues and -chains selection

2005-06-17 Thread Sebastien Moretti
Hello, I try to select several residues in several chains. I tried something like that : select selection, (resi 26+57+70 in chain a) and (resi 12 in chain d) but it fails. How can I Do ? thanks -- Sébastien Moretti http://igs.cnrs-mrs.fr/ CNRS - IGS 31 chemin Joseph Aiguier 13402 Marseille ce