[Jmol-developers] myJmol as variable in Jmol.script

2016-06-03 Thread Klaus Schaper
Thanks to Robert, that did the trick „show orientation you will see a parameter "rotation radius" You can set that to a new number, then disable zoom. It sets the magnification for "100%".“ However, is there an easy way to get the rotationRadius only? I want to read it out

Re: [Jmol-developers] Reloading current structure fails

2016-06-03 Thread Angel Herráez
Ok, Abel So you are not loading a mol2 file, you are loading data. Reloading of data might not be possible, or may need a different syntax. More investigation is needed on this, I cannoy say right now. What happens if you copy that data into a text file and load it into Jmol? Bob will know,

Re: [Jmol-developers] myJmol as variable in Jmol.script

2016-06-03 Thread Angel Herráez
Hi Klaus Go to http://chemapps.stolaf.edu/jmol/docs/ and search for "rotationRadius" You will see there is "set rotationRadius" therefore you can try show rotationRadius and it works! Examples of use: show rotationRadius // rotationRadius = 20.94923 rr = rotationRadius; print rr; //

Re: [Jmol-developers] Reloading current structure fails

2016-06-03 Thread Angel Herráez
The documentation under "data" says http://chemapps.stolaf.edu/jmol/docs/#data Using load data instead of just data you can load model data with all of the loading options of the standard LOAD command. Also, it says that you should probably use model as part of your data label; this may be the

Re: [Jmol-developers] Reloading current structure fails

2016-06-03 Thread Abel Lovas
Hi Angel, The exact version is 14.6.0_2016.05.24. It seems to be happening to any structure I have. Have only tried it with mol2 files. As the simple load command (load "") triggers the same error, I don't think it's related to the use of the spacegroup filter. This is how the structures

[Jmol-developers] Reloading current structure fails

2016-06-03 Thread Abel Lovas
Hello, I've been using version 14.2.7 for quite a long time and want to upgrade to the latest version. However, I've found an issue with 14.6.0. When I try to reload a mol2 structure with unit cell information like so load "" {1 1 1}  SPACEGROUP "x,y,z;-x,y,1/2-z;-x,-y,-z;x,-y,1/2+z"; I

Re: [Jmol-developers] Reloading current structure fails

2016-06-03 Thread Angel Herráez
Hello Abel We need to narrow the problem I've just tested with Jmol 14.6.0_2016.05.24, with a pdb file, a mol file and a mol2 file, and "load" works fine. e.g. load =1crn; load ""; load $caffeine; load ""; load "https://sourceforge.net/p/jmol/code/HEAD/tree/trunk/Jmol-datafiles/mol2/csc