Re: [PyMOL] Retain order for select segment and write trajectory

2017-07-19 Thread Kelly Tran
Thank you Thomas. That worked perfectly! Best, Kelly On Tue, Jul 18, 2017 at 4:04 PM, Thomas Holder < thomas.hol...@schrodinger.com> wrote: > Hi Kelly, > > With retain_order=1, PyMOL will sort by rank, which is the order of time > of loading the structure. By setting all rank values to the

Re: [PyMOL] Retain order for select segment and write trajectory

2017-07-18 Thread Thomas Holder
Hi Kelly, With retain_order=1, PyMOL will sort by rank, which is the order of time of loading the structure. By setting all rank values to the same value, you'll get segi/chain/resi sorting. So to preserve rank based sorting only for non-solvent, you can do this: set retain_order alter

[PyMOL] Retain order for select segment and write trajectory

2017-07-18 Thread Kelly Tran
Hi, I'm using PSICO to write a DCD. Is it possible to retain the original order for one segment (protein) while sorting by atom ID for another segment (water). Thank you, Kelly -- Check out the vibrant tech community on