[PyMOL] Pymol crashes with older pse files

2016-01-27 Thread Joel Tyndall
Hi, Having used Pymol for over a decade, I have a lot of (session) files from previous releases of Pymol. Unfortunately I am no longer able to open them in 1.8.0.0 on a windows 10 machine either from File open session or simply double clicking. (pymol.exe has stopped working). I am not

Re: [PyMOL] Pymol crashes with older pse files

2016-01-27 Thread Iain Kerr
Hi Joel, I had the same problem recently and Schrodinger released a patched version for this (v 1.8.0.2). If you go to the download page (I'm assuming as you use Windows you pay for the binary) it should be there. best, Iain From: Joel Tyndall

[PyMOL] superimposition of 2 ligand molecules

2016-01-27 Thread leila karami
Dear pymol users, I have 2 ligand molecules having similar backbone. There is little difference between them. When I load them in pymol, I have following figure: https://www.dropbox.com/s/k4g53p0qoxp58zs/pymol.png?dl=0 I want to have these 2 ligands in superimposed form such as following:

Re: [PyMOL] Testing if a .pml script is run in command line mode

2016-01-27 Thread Tsjerk Wassenaar
Hey Folmer, You can check if '-c' not in invocation._argv Of course, you'd also need to check combinations, so it would be matching -.*c.* on the elements in _argv. There probably is a way to check for the GUI directly though. Hope it helps, Tsjerk On Wed, Jan 27, 2016 at 11:49 AM, Folmer

[PyMOL] Testing if a .pml script is run in command line mode

2016-01-27 Thread Folmer Fredslund
Hi there, I was wondering if there is a way to check if a .pml is being run in command line mode (pymol -c), i.e. without the GUI. The reason I'm asking, is because I am making some scripts for figures, and save the representations as scenes. It would be nice to both be able to view them

Re: [PyMOL] Testing if a .pml script is run in command line mode

2016-01-27 Thread Folmer Fredslund
Dear Tsjerk, Thanks! simply including if '-c' in invocation._argv in the script works fine for me, Best, Folmer 2016-01-27 12:43 GMT+01:00 Tsjerk Wassenaar : > Hey Folmer, > > You can check if '-c' not in invocation._argv > Of course, you'd also need to check combinations,