Re: [Jmol-users] Jmol 14.x.4 released

2014-09-10 Thread N David Brown
Hi again, Is there likely to be a newer Maven artifact released soon? I’ve been waiting since 2013 for one..! The most recent versions here and here are very old.

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

2014-09-10 Thread chris.wood
…actually, what confused me slightly is that it was working last week. I’ve just realised I was pointing to stolaf’s server in the serverURL rather than ours (we must have a stricter memory limit set). I’d never thought in detail about Same Origin Policy rules – but obviously Chrome allows javas

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

2014-09-10 Thread chris.wood
Thanks – this now works (although in the download below the print statements still weren’t removed – I had to do it manually myself). Did you also make any changes to the PHP file? I’m trying to work out if the error I’m now seeing (Fatal error: Allowed memory size of 8388608 bytes exhausted (

Re: [Jmol-users] molecular dipoles

2014-09-10 Thread Pshemak Maslak
The puzzle is partially solved. It looks like the problem with dipoles originates in (some) spartan files that were saved as mol2 files with partial charge information included. I am still trying to figure out what the problem is with these spartan files (they definitely have charge informati

[Jmol-users] R: Re: R: Re: Save problems

2014-09-10 Thread pino.stricc...@libero.it
Bob, it is not working. It asks if the name is ok but it doesnt open a new dialog box and it doesnt save. I dont remember if it used to work before . Pino Messaggio originale Da: hans...@stolaf.edu Data: 10/09/2014 13.21 A: "pino.stricc...@libero.it", "jmol-users@lists.sourceforge

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

2014-09-10 Thread Robert Hanson
I had just enough time before a meeting to do that myself: http://chemapps.stolaf.edu/jmol/zip/jmol-14.3.7_2014.09.10b.zip On Wed, Sep 10, 2014 at 7:37 AM, Robert Hanson wrote: > If you edit jsmol/j2s/JU/BinaryDocument.js > > and remove this line: > > System.out.println (t); > > it will go fast

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

2014-09-10 Thread Robert Hanson
If you edit jsmol/j2s/JU/BinaryDocument.js and remove this line: System.out.println (t); it will go faster, I think. Maybe also in jsmol/j2s/core/corebinary.js, carefully remove: System.out.println(a); On Wed, Sep 10, 2014 at 7:33 AM, Robert Hanson wrote: > Well, one thing I forgot was to

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

2014-09-10 Thread Robert Hanson
Well, one thing I forgot was to remove a debug comment that is printing every integer read. So that will slow things down VERY much in JSmol/HTML5. Sorry about that. But also it looks like in applet1 you have sosurface1 created with cutoff=0.5 min=0 max=0.4541953206062317; so you just need to r

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

2014-09-10 Thread chris.wood
Hmm… I’ve uploaded this new version of JSmol, and I now get an error with the original 1cbs.cif example, and the map for my 2 example fails to load – “loading map file…” displays indefinitely: http://www.ccpem.ac.uk/jsmol_test/cutofftest.htm - is there something else I’ve missed? Chris From

Re: [Jmol-users] R: Re: Save problems

2014-09-10 Thread Robert Hanson
try pointing to http://chemapps.stolaf.edu/jmol/jsmol/jsmol.php On Wed, Sep 10, 2014 at 5:56 AM, pino.stricc...@libero.it < pino.stricc...@libero.it> wrote: > Bob, i just tried to be sure. When i ask to save there is a message asking > the name of file. Then nothing else. It should come up wit

Re: [Jmol-users] R: Re: Save problems

2014-09-10 Thread Robert Hanson
http://chemapps.stolaf.edu/jmol/jsmol/php/jsmol.php On Wed, Sep 10, 2014 at 6:21 AM, Robert Hanson wrote: > try pointing to http://chemapps.stolaf.edu/jmol/jsmol/jsmol.php > > > > On Wed, Sep 10, 2014 at 5:56 AM, pino.stricc...@libero.it < > pino.stricc...@libero.it> wrote: > >> Bob, i just tr

[Jmol-users] R: Re: Save problems

2014-09-10 Thread pino.stricc...@libero.it
Bob, i just tried to be sure. When i ask to save there is a message asking the name of file. Then nothing else. It should come up with an option to save or to open as i saw on ur site. I wonder if the position of jsmol.php is correct. I created a directory inside wordpress php and i put the same