From: Rajarshi G. <rg...@in...> - 2006-10-26 23:55:43
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On Thu, 2006-10-26 at 18:36 -0500, ha...@st... wrote: > Rajarshi, > > The question is: > > How important is it that you load the models one at a time? Not really. Basically I have a protein structure and multiple SD files of docked ligands. So at any one time I'd like to bring up Jmol with the protein and the ligand. If this is done by separate calls or in one call (by creating a single structure file) doesn't really matter > 1) Provided these are SDF files, a line containing just $$$$ separates > different models. So you could: Hmm, one is a PDB. I could convert it to SDF but I figured that I'd loose information (such as secondary structure etc) - is that correct? If so, then it appears that converting the SDF to PDB and then concatenating would be the way to go (?) ------------------------------------------------------------------- Rajarshi Guha <rg...@in...> GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E634 9B87 56EE ------------------------------------------------------------------- Breadth-first search is the bulldozer of science. -- Randy Goebel |