Re: [PyMOL] monitor same protein conformational change with multiple trajectory files

2019-05-03 Thread Thomas Holder
Hi Yu and David, I like to throw in one of the many ways to do this inside PyMOL :-) from pymol import cmd # load 3000 files into the "multi" object for i in range(3000): cmd.load('file_{}.pdb'.format(i + 1), 'multi') # if you want, fit to the first state cmd.intra_fit('multi') Morphing between

Re: [PyMOL] monitor same protein conformational change with multiple trajectory files

2019-05-01 Thread David Gae
Dear Yu, Try this bash script and then run "pymol all.pdb” in your PDB directory. this might help you view your files as a trajectory. for i in {1..3000} do # change frame_$i.pdb to your file name. for example mine is frame_1.pdb [ -f "frame_$i.pdb" ] z=frame_$i.pdb

[PyMOL] monitor same protein conformational change with multiple trajectory files

2019-04-30 Thread Yu Qi
Some background: I'm an undergraduate student and am doing research with my professor about modeling protein conformational changes. I am new to this field and and am actively learning how to use command lines, python and other relative tools. I have simulated how the protein will walk with