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- ; <tt>filename.inp</tt> : A text file which contains the CHARMM commands. It starts by loading the molecular topo ; <tt>filename.out</tt> : The log file for the CHARMM run, containing echoed commands, and various amounts of comm4 KB (546 words) - 00:49, 3 April 2009
- ...essment of PRotein Interactions]] experiment. The application also reports residue contact free energies that rapidly highlight the hotspots of the interactio ...Besides the electrostatic and desolvation free energy, the server reports residue contact free energies that rapidly highlight the hotspots of the interactio13 KB (1,540 words) - 18:05, 18 February 2012
- == Phi/Psi and Residue Type == * Pre-Proline (proline even messed up any residue before it)27 KB (3,212 words) - 18:52, 26 July 2012
- ==Acd file utilities== ;acdtable : Creates an HTML table from an ACD file21 KB (2,762 words) - 01:04, 10 July 2012
