[PyMOL] PyMOL, hydrogen bonds and PQR files with H-atoms

2014-01-14 Thread Fotis Baltoumas
Dear PyMOL Users, I am writing a python script that utilizes the "cmd.find_pairs" and "cmd.distance" functions of the PyMOL API, in order to identify hydrogen bonds in a PQR file and calculate their properties. Since crystal structures rarely contain hydrogens, PyMOL guesses the position of hydrog

[PyMOL] PyMOL v1.7 Released

2014-01-14 Thread Jason Vertrees
Greetings, We are happy to announce the release of PyMOL v1.7.0.0! Official PyMOL sponsors can download ready-to-use installers from http://pymol.org/dsc/ip . The open-source code has been pushed to sourceforge svn (revision 4060) and a downloadable bz2 source file is also available from http://sf

Re: [PyMOL] Pymol 1.3 and 1.6 compatability?

2014-01-14 Thread Folmer Fredslund
Hi Lapolla, The PyMOL source is available here: http://sourceforge.net/projects/pymol/ Hope this helps, Folmer 2014/1/14 Lapolla, Suzanne M (HSC) > I thought that 1.7 was not free--that you had to pay for it. Not true? If > 1.7 is free, could you give me a link? Thank you. >

Re: [PyMOL] Pymol 1.3 and 1.6 compatability?

2014-01-14 Thread Lapolla, Suzanne M (HSC)
I thought that 1.7 was not free--that you had to pay for it. Not true? If 1.7 is free, could you give me a link? Thank you. From: Engin Özkan [eoz...@stanford.edu] Sent: Tuesday, January 14, 2014 3:10 PM To: pymol-users@lists.sourceforge.net Subject: Re: [

Re: [PyMOL] Pymol 1.3 and 1.6 compatability?

2014-01-14 Thread Engin Özkan
While you are updating, you might as well update to the very recently released version, 1.7. Engin On 1/14/14, 3:07 PM, Marcelo Marcet wrote: > Hi Lapolla, > > Yes, you can keep your pymol v1.3 and v1.6. Just make sure that they have > different names. You will also be able to open your old pse

Re: [PyMOL] Pymol 1.3 and 1.6 compatability?

2014-01-14 Thread Marcelo Marcet
Hi Lapolla, Yes, you can keep your pymol v1.3 and v1.6. Just make sure that they have different names. You will also be able to open your old pse files. Cheers, Marcelo On Jan 14, 2014, at 12:18 PM, Lapolla, Suzanne M (HSC) wrote: > I would like to upgrade to Pymol 1.6 on my windows 7 64 bit

Re: [PyMOL] Ray tracing with no GUI yields segmentation fault

2014-01-14 Thread Thomas Holder
Hi Ricardo, you probably want to do this, without calling the ray command: cmd.png("image.png", 640, 640, dpi=300, ray=1) Also, your ray command sets antialias=300 and angle=-1, which I guess was not your intention. I'm not getting a segmentation fault with the latest SVN code using your comma

[PyMOL] Pymol 1.3 and 1.6 compatability?

2014-01-14 Thread Lapolla, Suzanne M (HSC)
I would like to upgrade to Pymol 1.6 on my windows 7 64 bit laptop. Right now I have Pymol 1.3 opensource. I have a many session files (.pse) that I have made on PyMol 1.3, and want to make sure that upgrading will not be a problem. Can I uninstall Pymol 1.3, then install Python 2.7 and Pymol 1

[PyMOL] Ray tracing with no GUI yields segmentation fault

2014-01-14 Thread Ricardo O. S. Soares
Hello everyone, I wrote a python script where pymol performs some color changes, ray tracing and image export. The script works perfectly if I enable the GUI, however if I load pymol without the GUI (-c flag) I receive a segmentation fault error. I found out that this issue is resolved by com