Re: [PyMOL] How to tell what amino acids are in view?

2012-03-12 Thread Joel Tyndall
Shane, The simplistic option is to use the shift key and drag your mouse across the viewer window. With the sequence displayed this will select those residues in view and highlight them also. This is the static option and I'm guessing not quite what you may be after Joel

[PyMOL] How to tell what amino acids are in view?

2012-03-12 Thread Shane Neeley
Hi, Does anyone know of a way to tell which amino acids are currently in view? I am imagining something that highlights the the parts of the sequence that are visible as you rotate the molecule around. It may be much more complex than I am describing. Shane ---

Re: [PyMOL] Query on Contact Map Visualizer

2012-03-12 Thread Tsjerk Wassenaar
Hi Suhaila, >From what I understand from the wiki, you have to have a match between the PDB and the contact map. If your contact map was made on a structure with multiple chains, all chains will be in there. If you want to select a single chain, you have to extract that chain from thhe PDB file, t

[PyMOL] Query on Contact Map Visualizer

2012-03-12 Thread Suhaila Haji Mohd Hussin
Hello guys, Regarding the subject mentioned above, I'm wondering if PDB file has more than one chain, will the generation of contact map using g_mdmat from Gromacs still produce a map of all chains? Don't I have a choice to choose one chain? Refer the subject above for more details: http://www

Re: [PyMOL] FW: Installed Gromacs but generate contact map using g_mdmat (Gromacs) still failed

2012-03-12 Thread Suhaila Haji Mohd Hussin
My friend helped me. It's OK now. Appreciate your reply. Suhaila. Date: Mon, 12 Mar 2012 08:43:53 +0100 Subject: Re: [PyMOL] FW: Installed Gromacs but generate contact map using g_mdmat (Gromacs) still failed From: tsje...@gmail.com To: bell_beaut...@hotmail.com CC: pymol-users@lists.sourceforge

Re: [PyMOL] FW: Installed Gromacs but generate contact map using g_mdmat (Gromacs) still failed

2012-03-12 Thread Tsjerk Wassenaar
Hi Suheila, Are you running both pymol and gromacs on the virtual machine? Are tge gromacs binaries installed in /usr/bin or /usr/local/bin or otherwise globally available? Cheers, Tsjerk On Mar 11, 2012 10:00 PM, "Suhaila Haji Mohd Hussin" < bell_beaut...@hotmail.com> wrote: The problem I'm