Feature Requests item #1907294, was opened at 2008-03-04 12:26 Message generated for change (Comment added) made by nobody You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379136&aid=1907294&group_id=23629
Please note that this message will contain a full copy of the comment thread, including the initial issue submission, for this request, not just the latest update. Category: None Group: None Status: Open Priority: 5 Private: No Submitted By: Nobody/Anonymous (nobody) Assigned to: Nobody/Anonymous (nobody) Summary: Improve the "write" command Initial Comment: The outputed .pdb files should be correct and complete PDB format, which means that the identifiers such as "TER", "MODEL", "ENDMDL", etc., should be included in the output files, so that these files can be further used. In fact, presently (Jmol 11.4RC6), the PDB files outputed by Jmol itself cannot be correctly loaded by Jmol itself! This seems vary strange thing. Hopefully, this can be corrected. bgMa%at%sdut.edu.cn ---------------------------------------------------------------------- Comment By: Nobody/Anonymous (nobody) Date: 2008-03-04 12:46 Message: Logged In: NO bgMa, Right, there is no intent to write full PDB format files -- including TER, MODEL, and ENDMDL. It's pretty basic. Jmol and RasMol read the coordinates and bonding correctly. So this writing is really just the ATOM, HETATM, and CONECT blocks necessary to reproduce the set of atoms selected. How much more would you need -- just TER, MODEL, and ENDMDL -- to get the sort of output you could use? Might be able to add that.... Bob Hanson ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379136&aid=1907294&group_id=23629 ------------------------------------------------------------------------- This SF.net email is sponsored by: Microsoft Defy all challenges. Microsoft(R) Visual Studio 2008. http://clk.atdmt.com/MRT/go/vse0120000070mrt/direct/01/ _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
