Re: [PyMOL] Transparency of VASCo surfaces

2013-04-24 Thread Thomas Holder
Hi Gianluigi, that surface is a CGO object, so you need: set cgo_transparency, value, object Hope that helps. Cheers, Thomas Gianluigi Caltabiano wrote, On 04/22/13 18:49: Hi all, I often use VASCo surfaces and I am experiencing a strange behaviour on transparency settings as VASCo

[PyMOL] Visualization of the protein-ligand interactions

2013-04-24 Thread James Starlight
Dear Pymol users! I want to examine protein-ligand interactions observed in the md trajectory using Pymol. For such task I have 100 snapshots of the protein-ligand complex which I've loaded into the pymol. Now I want to extract from all snapshots 100 ligands as the separate 100 objects and save

[PyMOL] SS in a trajectory

2013-04-24 Thread Jianghai Zhu
Hi, I have a trajectory file, in which two short helices would merge into one long helix. However, when I play the trajectory in Pymol as cartoon, the long helix would still be shown as two helices with a loop in between. Is there a way to force Pymol to show a long helix for a specific

Re: [PyMOL] Visualization of the protein-ligand interactions

2013-04-24 Thread Thomas Evangelidis
I want to examine protein-ligand interactions observed in the md trajectory using Pymol. For such task I have 100 snapshots of the protein-ligand complex which I've loaded into the pymol. Now I want to extract from all snapshots 100 ligands as the separate 100 objects and save it in the

Re: [PyMOL] Visualization of the protein-ligand interactions

2013-04-24 Thread James Starlight
Thomas, thanks for help! As I understood fconv can be used for the split several mol2 (or pdb) files which was placed in 1 model to the several pdb files, doesnt it ? In past I forced with some problems with g_hbond. Is there any other way to monitor h bonds along the trajectory (e.g in vmd) ?

[PyMOL] Fwd: Visualization of the protein-ligand interactions

2013-04-24 Thread Thomas Evangelidis
As I understood fconv can be used for the split several mol2 (or pdb) files which was placed in 1 model to the several pdb files, doesnt it ? fconv can do miracles :) check it out ! fconv -h In past I forced with some problems with g_hbond. Is there any other way to monitor h bonds

[PyMOL] sculpt settings

2013-04-24 Thread Osvaldo Martin
Where I can find documentation about the exact meaning of all the settings related to the sculpt function? In particular what the sculpt_field_mask setting does? I am trying to sculpt the sidechaiin of a particular residue while protecting the rest of the structure. Which are the bet parameters

Re: [PyMOL] SS in a trajectory

2013-04-24 Thread Thomas Evangelidis
If none suggests a solution in PyMOL ten use sscache.tcl script in VMD to update the SS at every frame. Thomas On 24 April 2013 17:31, Jianghai Zhu j...@idi.harvard.edu wrote: Hi, I have a trajectory file, in which two short helices would merge into one long helix. However, when I play the

Re: [PyMOL] SS in a trajectory

2013-04-24 Thread Robert Campbell
Hi, On Wed, 2013-04-24 10:31 EDT, Jianghai Zhu j...@idi.harvard.edu wrote: Hi, I have a trajectory file, in which two short helices would merge into one long helix. However, when I play the trajectory in Pymol as cartoon, the long helix would still be shown as two helices with a loop in

Re: [PyMOL] Fwd: Visualization of the protein-ligand interactions

2013-04-24 Thread James Starlight
Thomas, actually I used very routine way. Firstly I've extract conformers of protein-ligand complexes from the trajectory. Than I've loaded it into pymol and visualize possible interactions. Than I've selected most representative conformers and loaded it separately into pose view to obtain 2D