Re: [Jmol-users] trouble with isosurface with Jmol-13.0.RC1

2012-07-23 Thread Robert Hanson
either way is fine. I think the preferred mode is: translateSelected x 25% but I think the order of the tokens doesn't matter, and "translate selected" was and older idea that is still there but undocumented. Is it working now for you, including saves and recalls from PNGJ files? On Mon, Jul 23

Re: [Jmol-users] trouble with isosurface with Jmol-13.0.RC1

2012-07-23 Thread Shore, Jay
should I be using translate x 25% selected or translateSelected x 25% I do not see "translate x 25% selected" in the manual, but in my spt script it works well, though I am not sure that it is being interpretted when reading the state file. "translateSelected x 25%" does not work well in my sp

Re: [Jmol-users] trouble with isosurface with Jmol-13.0.RC1

2012-07-23 Thread Robert Hanson
http://chemapps.stolaf.edu/jmol/Jmol-13.zip On Mon, Jul 23, 2012 at 1:44 PM, Robert Hanson wrote: > that wouldn't be it. Yes, do check that. Latest is just put up at > http://chemapps.stolaf.edu/jmol/Jmol-13.jar > > > > On Mon, Jul 23, 2012 at 1:41 PM, Shore, Jay wrote: > >> >> >> Thank you ve

Re: [Jmol-users] trouble with isosurface with Jmol-13.0.RC1

2012-07-23 Thread Robert Hanson
that wouldn't be it. Yes, do check that. Latest is just put up at http://chemapps.stolaf.edu/jmol/Jmol-13.jar On Mon, Jul 23, 2012 at 1:41 PM, Shore, Jay wrote: > > > Thank you very much Bob. > I think the problem was that I was using "translate x 33% selected" > I wonder if the code was not i

Re: [Jmol-users] artifacts inside protein surfaces

2012-07-23 Thread Robert Hanson
ps -- [Note that internal cavities will show up with isosurface SOLVENT or isosurface MOLECULAR as sets with negative volume.] On Mon, Jul 23, 2012 at 1:41 PM, Robert Hanson wrote: > Got it! This had nothing to do with resolution, as it turns out. One > simple line of code caused the problem. S

Re: [Jmol-users] trouble with isosurface with Jmol-13.0.RC1

2012-07-23 Thread Shore, Jay
Thank you very much Bob. I think the problem was that I was using "translate x 33% selected" I wonder if the code was not interpreting the % correctly when opening the .jmol file. When I do not use the percent sign, it seems to work. I will keep on testing. Thank you again. Jay From: Robert

Re: [Jmol-users] artifacts inside protein surfaces

2012-07-23 Thread Robert Hanson
Got it! This had nothing to do with resolution, as it turns out. One simple line of code caused the problem. See http://chemapps.stolaf.edu/jmol/Jmol-13.zip Thank you so much, Alexander, for pointing this out. It's actually been there a very long time. On Mon, Jul 23, 2012 at 12:12 PM, Robert Han

Re: [Jmol-users] Jmol 13.0

2012-07-23 Thread Robert Hanson
Right -- Let's give it a few days to see if that gets changed on the GLmol site. On Mon, Jul 23, 2012 at 12:15 PM, Angel Herráez wrote: > > We really do not want to be in the business of distributing other's > > code, I think. > > I agree. > > > There's no customization. Why do you think that? >

Re: [Jmol-users] Jmol 13.0

2012-07-23 Thread Angel Herráez
> We really do not want to be in the business of distributing other's > code, I think. I agree. > There's no customization. Why do you think that? There are several portions of code (with your explicit name) that differ between the file at your site and the file downloaded from the GLmol sit

Re: [Jmol-users] artifacts inside protein surfaces

2012-07-23 Thread Robert Hanson
Yes, I see that, Alexander. Thanks for the PNGJ file - that is really a great way to send issues to me. I wish everyone would do that. I'll study this some. I really think it is an artifact of the poor resolution. Molecular surfaces are notoriously challenging to produce, and this one does just fi

Re: [Jmol-users] trouble with isosurface with Jmol-13.0.RC1

2012-07-23 Thread Robert Hanson
Sorry, might be a versioning issue there. I think I forgot to upload it. Please try http;//chemapps.stolaf.edu/jmol/Jmol-13.zip again. Here's what I see: $ load $caffeine $ isosurface vdw $ isosurface offset {1 1 1} $ show $isosurface1 frame 1.1; isosurface ID "isosurface1" select ({0:4})

Re: [Jmol-users] Jmol 13.0

2012-07-23 Thread Robert Hanson
On Mon, Jul 23, 2012 at 3:15 AM, Angel Herráez wrote: > El 22 Jul 2012 a las 17:36, Robert Hanson escribió: > > http://chemapps.stolaf.edu/jmol/glmol/test2.htm?GLMOL > > > > http://chemapps.stolaf.edu/jmol/glmol/simple2.htm?GLMOL > > > > should be working. I forgot to upload a change in JmolGLmol

Re: [Jmol-users] Jmol 13.0

2012-07-23 Thread Angel Herráez
El 22 Jul 2012 a las 17:36, Robert Hanson escribió: > http://chemapps.stolaf.edu/jmol/glmol/test2.htm?GLMOL > > http://chemapps.stolaf.edu/jmol/glmol/simple2.htm?GLMOL > > should be working. I forgot to upload a change in JmolGLmol.js Ok. My concern now is: - JmolGLmol.js is included in Jmol di