Re: [PyMOL] Fwd: loading amber files and selecting traj frames

2013-07-31 Thread Thomas Holder
Hi Pawel, 1. PyMOL might have a bug here, or at least the amber file support is rather limited at the momemt. Also note that the amber restart file is not a trajectory but contains only one frame. PyMOL internally treats rst and crd the same (which we should change, actually). So this

[PyMOL] selections on different states of one object

2013-07-31 Thread Pawel
Hello, I am having trouble running scripts which vary selections on different states of a PyMOL object. I've converted an MD trajectory into a pdb with 500 models that PyMOL loads as 500 states of 1 object. For example, I would then like to run the anglesbetweenhelices.py script (from PyMOL w

Re: [PyMOL] selections on different states of one object

2013-07-31 Thread Thomas Holder
Hi Pawel, the state argument of the select command is only for state sensitive selection criteria (like around or within operators). The selection will always be on all states (exception: discrete objects). The angle_between_helices command itself needs a state argument. Since I wrote that script

[PyMOL] Off-topic: Crystallographic Symmetry Applications Available?

2013-07-31 Thread Chen Zhao
Dear all, I have been trying to search some softwares/applications that can display the crystal space group "lattice" based on the input of cell dimension and space group. Ideally, it can also apply the arbitrary symmetry operation to a molecule with given orientation and position in the unit cell