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

2009-04-06 Thread Angel Herráez
I can confirm John's observation, using a different 2D mol file. load myMol.mol works load myMol.zip give extra bonds (between close atoms) This seems to be due to Jmol autobonding being applied in zipped files. If I issue set autobond off before loading the zip file, then it renders

[Jmol-developers] Is there one or multiple threads running Jmol scripts?

2009-04-06 Thread Jonathan Alvarsson
Do Jmol create a new thread for each script or is there a queue and one thread executing each script on at a time? Or in other words: If my GUI thread starts starts a Jmol script and after that start another Jmol script, can I be sure that they are executed and finishes in that order? That is:

Re: [Jmol-developers] Is there one or multiple threads running Jmol scripts?

2009-04-06 Thread Robert Hanson
there is a queue that handles all scripts. There are a few ways around it with a Java application embedding Jmol, but any call to JmolViewer.script() uses the queue. On Mon, Apr 6, 2009 at 6:57 AM, Jonathan Alvarsson jonathan.alvars...@gmail.com wrote: Do Jmol create a new thread for each

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

2009-04-06 Thread Robert Hanson
I'll need to see those files. I suspect something is happening to the 2d mol file when you are processing it; I'm not seeing the same problem with NIST data. For example, I take the 2d file for cholesterol, put it in a zip file, load the zip file, and it all works fine Bob On Sun, Apr 5,

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

2009-04-06 Thread Robert Hanson
Jairav, Yes, that's right -- use the PDB format and designate your atoms as either CA or P. In fact, you can even use the element symbol field (columns 78 and 79) to designate an element for coloring purposes if you want independently of whether the atom name is CA or P Also, then you can use

Re: [Jmol-developers] [Jmol-users] Jmol + cdk

2009-04-06 Thread Robert Hanson
Aidar, [switching to Jmol Developers list] I'm really glad you are working with this. No one has updated this for some time, and I'm not surprised it may be causing some difficulty for you. 1) Which version of Jmol are you using? 2) If you can, use a Jmol.jar file that was build with

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

2009-04-06 Thread Jairav Desai
Thanks for the reply. I will try it out with phosphorus atoms. if you take a look at this image http://www.umassmed.edu/faculty/graphics/182/DekkerFig2new.gif In the way you see above, I'm trying to find a simple way to make a straight line (which represents the gene) and pull together the

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

2009-04-06 Thread Robert Hanson
yes, that should work like a charm. Have fun with this! On Mon, Apr 6, 2009 at 12:02 PM, Jairav Desai jairavdesai2...@u.northwestern.edu wrote: Thanks for the reply. I will try it out with phosphorus atoms. if you take a look at this image

[Jmol-developers] [ jmol-Feature Requests-2738121 ] isotope support in CML

2009-04-06 Thread SourceForge.net
Feature Requests item #2738121, was opened at 2009-04-06 19:33 Message generated for change (Comment added) made by aherraez You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=379136aid=2738121group_id=23629 Please note that this message will contain a full copy of the

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

2009-04-06 Thread Jairav Desai
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? 2009/4/6 Robert Hanson hans...@stolaf.edu yes, that should work like a charm. Have fun with this! On Mon, Apr 6, 2009 at 12:02 PM, Jairav Desai

[Jmol-developers] [ jmol-Feature Requests-2738121 ] isotope support in CML

2009-04-06 Thread SourceForge.net
Feature Requests item #2738121, was opened at 2009-04-06 19:33 Message generated for change (Tracker Item Submitted) made by aherraez You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=379136aid=2738121group_id=23629 Please note that this message will contain a full

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

2009-04-06 Thread Robert Hanson
What you don't need to specify are the bonds -- Jmol will connect them sequentially. On Mon, Apr 6, 2009 at 2:42 PM, Robert Hanson hans...@stolaf.edu wrote: well, you definitely need some x,y,z coordinates. Look up the PDB format to see what all is involved. Example abound. On Mon, Apr 6,

[Jmol-developers] [ jmol-Feature Requests-2738121 ] isotope support in CML

2009-04-06 Thread SourceForge.net
Feature Requests item #2738121, was opened at 2009-04-06 12:33 Message generated for change (Comment added) made by hansonr You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=379136aid=2738121group_id=23629 Please note that this message will contain a full copy of the

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

2009-04-06 Thread John Shepardson
Date: Mon, 06 Apr 2009 12:29:00 +0200 From: Angel Herr?ez angel.herr...@uah.es Subject: Re: [Jmol-developers] Incorrectly Drawn Bonds in Zipped 2d.mol files This seems to be due to Jmol autobonding being applied in zipped files. If I issue set autobond off before loading the zip file,