Hi Marco, (a) distances. If you have Chimera 1.5 (daily build) you can use the findclash command to find all distances between two sets of atoms. The two sets can contain the same or different atoms. For example, you could find all distances among NH protons or between NH protons and other protons. See these previous replies: <http://www.cgl.ucsf.edu/pipermail/chimera-users/2010-February/004826.html
<http://www.cgl.ucsf.edu/pipermail/chimera-users/2010-March/004887.html> (except note that the mail program has expanded "@" to " at "!) (b) peptide dihedrals. The phi,psi,chiN values for amino acid residues are automatically assigned as attributes. You can save an attribute (list of values) to a file from the Render by Attribute tool. <http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/render/render.html#...
Currently there is no Chimera command to save attributes, however. I hope this helps, Elaine ----- Elaine C. Meng, Ph.D. UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco On Apr 13, 2010, at 2:24 AM, sette@uniroma2.it wrote:
Hi all, my reply is not really related but similar. I work with NMR data and often we need list of distances or dihedral angles for the whole molecule, like distances between a NH protons and the rest of the molecule, or list of the chi1 dihedral angles. It seems that at present there is no way to get this. Scripts are possible? Thanks, Marco