Re: [PyMOL] Valence bonding ray trace in batch mode

2017-07-05 Thread Gianluca Tomasello
Hi Thomas, the script below reproduce the behavior for me. I don't use pymolrc file or k flag. I loaded the script like this and two different behaviors were detected on the renderised image. 1) pymol script.py 2) pymol -c scritp.py from pymol import cmd cmd.fetch("1c0k","a",async=0)

Re: [PyMOL] Valence bonding ray trace in batch mode

2017-07-04 Thread Thomas Holder
Hi Gianluca, You get the sphere with stick_ball=on. It's unexpected that batch mode and GUI mode give different results. Could it be that you have the stick_ball setting in a (directory specific) pymolrc file, and/or do you pass -k flag (ignores pymolrc files) in batch mode? Cheers, Thomas

[PyMOL] Valence bonding ray trace in batch mode

2017-07-03 Thread Gianluca Tomasello
Hi, I am trying to execute a script that sets valence bonding on sticks and then it gives me back a rendered image. There seems there is a difference when i try to run the script normally or in batch mode (pymol -cq script.py). If i run it in batch mode, each atom with a double bond is rendered