Dear List When I try to save an object as a PDB (after editing it slightly with the PyMOL edit mode, i.e. adjusting a dihedral angle), the "Save Molecule" dialog asks to save "all", "global" or "objects current" state. When saving with the last two, I get no coordinates in the generated file only an "END" statement, thats the only thing written to the file. Only when using "all" i get the coordinates in the file, but the file is called file_state01.pdb and I need to edit it on the command line. The object I'm trying to save is the following amino acid:
ATOM 1 N GLN A 189 61.015 3.522 29.377 1.00 0.00 PROT N ATOM 2 CA GLN A 189 60.796 4.359 30.552 1.00 0.00 PROT C ATOM 3 C GLN A 189 61.841 4.093 31.609 1.00 0.00 PROT C ATOM 4 O GLN A 189 62.557 5.012 32.048 1.00 0.00 PROT O ATOM 5 CB GLN A 189 59.376 4.085 31.097 1.00 0.00 PROT C ATOM 6 CG GLN A 189 59.191 4.225 32.644 1.00 0.00 PROT C ATOM 7 CD GLN A 189 59.212 5.623 33.275 1.00 0.00 PROT C ATOM 8 NE2 GLN A 189 60.166 6.464 32.970 1.00 0.00 PROT N ATOM 9 OE1 GLN A 189 58.336 5.977 34.048 1.00 0.00 PROT O ATOM 10 HA GLN A 189 60.884 5.420 30.254 1.00 0.00 PROT H ATOM 11 2HB GLN A 189 59.072 3.062 30.790 1.00 0.00 PROT H ATOM 12 3HB GLN A 189 58.662 4.765 30.594 1.00 0.00 PROT H ATOM 13 2HG GLN A 189 59.945 3.612 33.173 1.00 0.00 PROT H ATOM 14 3HG GLN A 189 58.222 3.797 32.956 1.00 0.00 PROT H ATOM 15 1HE2 GLN A 189 60.070 7.393 33.383 1.00 0.00 PROT H ATOM 16 2HE2 GLN A 189 60.828 6.131 32.266 1.00 0.00 PROT H ATOM 17 H01 GLN A 189 61.024 2.517 29.478 1.00 0.00 PROT H Any hints are welcomed, because its a bit inconvenient having to rename all the time.. Martin ------------------------------------------------------------------------------ Doing More with Less: The Next Generation Virtual Desktop What are the key obstacles that have prevented many mid-market businesses from deploying virtual desktops? How do next-generation virtual desktops provide companies an easier-to-deploy, easier-to-manage and more affordable virtual desktop model.http://www.accelacomm.com/jaw/sfnl/114/51426474/ _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
