Angel Herraez wrote: >Chris Weichenberger escribió: > > > >> It also seems to be >>inconsistent since the 'load' command asks for consecutive integers >>starting with 1 whereas the 'frame'/'model' command requires the PDB model >>number. >> >> > > >I've checked the doc and it's correct, "frame" and "model" will use >the PDB MODEL number if available. >"In the case of the loading of a single PDB file containing MODEL >records, the integer used here corresponds to the number in that >record." >I guess that for sequential numbers we now have the n.m syntax, that >is, "frame 1.0" will display the first model, irrespective of its >internally-assigned number --or won't it? >No! It's "frame 1.1" > >The key issue is that only pdb files have model numbers, so Jmol is >taking a general solution for "load". > > > Jmol 11.6.RC1 will have a change in the LOAD command such that for PDB files, the number designated is the model number in the MODEL record.
Bob > > > >>May I ask the Jmol developers to extend the 'load' command such that it >>can cope with model numbers contained in the PDB file? To assist you, I >>have included pathologic cases I found when scanning our database for this >>problem. >> >> > >That should be some kind of switch or new parameter, maybe? >How about "load <filename> model <n> " ? >for backward-compatibility > > > >------------------------------------------------------------------------- >This SF.Net email is sponsored by the Moblin Your Move Developer's challenge >Build the coolest Linux based applications with Moblin SDK & win great prizes >Grand prize is a trip for two to an Open Source event anywhere in the world >http://moblin-contest.org/redirect.php?banner_id=100&url=/ >_______________________________________________ >Jmol-users mailing list >[email protected] >https://lists.sourceforge.net/lists/listinfo/jmol-users > > -- Robert M. Hanson Professor of Chemistry St. Olaf College Northfield, MN http://www.stolaf.edu/people/hansonr If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 ------------------------------------------------------------------------- This SF.Net email is sponsored by the Moblin Your Move Developer's challenge Build the coolest Linux based applications with Moblin SDK & win great prizes Grand prize is a trip for two to an Open Source event anywhere in the world http://moblin-contest.org/redirect.php?banner_id=100&url=/ _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
