Re: [Jmol-developers] JMOL for Simple Gene Modelling

2009-04-08 Thread Angel Herráez
On 6 Apr 2009 at 13:40, Jairav Desai wrote: I just want to confirm, so if I use the pdb format, I don't need to specify these xyz coordinates? i can just specify the bonds? No. You need xyz coordinates always; there is no way the atoms can be positioned without coordinates. And pdb

Re: [Jmol-developers] JMOL for Simple Gene Modelling

2009-04-08 Thread Robert Hanson
Good point, Angel. set autobond off will be important. It needs to come before the file loads, otherwise Jmol will attempt to make bonds based on bond distance. Bob 2009/4/7 Angel Herráez angel.herr...@uah.es On 6 Apr 2009 at 13:40, Jairav Desai wrote: I just want to confirm, so if I

Re: [Jmol-developers] JMOL for Simple Gene Modelling

2009-04-08 Thread Robert Hanson
one MORE point -- this might be a good case for using the DATA command so that the entire script + data can be one file. Bob On Wed, Apr 8, 2009 at 8:15 AM, Robert Hanson hans...@stolaf.edu wrote: Good point, Angel. set autobond off will be important. It needs to come before the file

Re: [Jmol-developers] Incorrectly Drawn Bonds in Zipped 2d .mol files

2009-04-08 Thread Robert Hanson
It's a bug in Jmol 11.6. Or, more specifically, it's a problem with the way Jmol decides to automatically create or not create bonds. I have uploaded a quick fix that will work when there is just one mol file in a ZIP file set, but really this will need more consideration on my part and some

[Jmol-developers] [ jmol-Bugs-2741143 ] JUnit test failures

2009-04-08 Thread SourceForge.net
Bugs item #2741143, was opened at 2009-04-07 11:25 Message generated for change (Comment added) made by hansonr You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=379133aid=2741143group_id=23629 Please note that this message will contain a full copy of the comment

[Jmol-developers] [ jmol-Feature Requests-2727415 ] qchem format

2009-04-08 Thread SourceForge.net
Feature Requests item #2727415, was opened at 2009-04-02 16:53 Message generated for change (Comment added) made by hansonr You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=379136aid=2727415group_id=23629 Please note that this message will contain a full copy of the

[Jmol-developers] [ jmol-Feature Requests-2727415 ] qchem format

2009-04-08 Thread SourceForge.net
Feature Requests item #2727415, was opened at 2009-04-02 16:53 Message generated for change (Comment added) made by rkanters You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=379136aid=2727415group_id=23629 Please note that this message will contain a full copy of the