Re: [Jmol-users] Dependencies included in jar file

2014-09-11 Thread Robert Hanson
Are Maven builds being produced somewhere now? ​ -- Want excitement? Manually upgrade your production database. When you want reliability, choose Perforce Perforce version control. Predictably reliable.

Re: [Jmol-users] Setting cutoff with some maps causes map to fail to load

2014-09-11 Thread chris.wood
Hi Bob, Thanks for fixing the byte reading issue - I think that problem overshadowed the final question in my original email! - does the server-side processing of the map file load all the data into the jsmol object - i.e. can you change cutoff without having to make another server

Re: [Jmol-users] Setting cutoff with some maps causes map to fail to load

2014-09-11 Thread Robert Hanson
On Thu, Sep 11, 2014 at 7:32 AM, chris.w...@stfc.ac.uk wrote: Hi Bob, Thanks for fixing the byte reading issue – I think that problem overshadowed the final question in my original email! - does the server-side processing of the map file load all the data into the jsmol

Re: [Jmol-users] molecular dipoles

2014-09-11 Thread Pshemak Maslak
Let me start by repeating the original question: is there a way to get a numerical value of the dipole moment calculated by Jmol based on the partial charges in the file? Now back to spartan files (see below). If the spartan file is generated by double calculations the charge information

Re: [Jmol-users] molecular dipoles

2014-09-11 Thread Robert Hanson
Sorry -- deep-sixed this one. On Thu, Sep 11, 2014 at 1:43 PM, Pshemak Maslak n...@psu.edu wrote: Let me start by repeating the original question: is there a way to get a numerical value of the dipole moment calculated by Jmol based on the partial charges in the file? dipole molecular d

Re: [Jmol-users] molecular dipoles

2014-09-11 Thread Pshemak Maslak
Thank you. This was very educational! In the Interactive Script Documentation getProperty shapeInfo lists dipoles, but shapeInfo.txt example (http://chemapps.stolaf.edu/jmol/docs/misc/shapeInfo.txt) has no listing for dipoles, which confused me (I was looking for .dipole.obj[1] or