Re: [Jmol-users] custom axes labels (DOC needs correction)

2014-03-12 Thread Robert Hanson
Yes, the documentation was incorrect. Thanks. axes LABELS "x-label" "y-label" "z-label" "origin-label" *Sets the labels for the positive X, Y, Z axes, and the origin. Negative-directed axes are hidden; empty quotes can be used to hide labels as desired.* axes LABELS "x-label" "y-label" "z-labe

Re: [Jmol-users] difference between "write" and "write coord" for MOL vs XYZ

2014-03-12 Thread Robert Hanson
sorry about that -- wasn't paying attention... On Wed, Mar 12, 2014 at 8:01 PM, Angel Herráez wrote: > Sorry, Bob, I am confused by your 3 replies which look contradictory. > > 1. So, "write coord XYZ" is not possible. What is then what you put back? > Correct. The documentation is correct now

[Jmol-users] custom axes labels (DOC needs correction)

2014-03-12 Thread Angel Herráez
The doc says I can specify custom labels for +X +Y +Z -X -Y -Z and the origin When I enter the 7 values I get script ERROR: bad argument count 6 are OK, 3 are ok and have the useful effect of displaying only the positive part of the axes lines. That should be added to the doc. However, they al

Re: [Jmol-users] difference between "write" and "write coord" for MOL vs XYZ

2014-03-12 Thread Angel Herráez
Sorry, Bob, I am confused by your 3 replies which look contradictory. 1. So, "write coord XYZ" is not possible. What is then what you put back? 2. Reading a PyMOL file will change what from the default? And "initialize" resets what? 3. Shame for the clipboard! I am testing in Java but was aim

Re: [Jmol-users] difference between "write" and "write coord" for MOL vs XYZ

2014-03-12 Thread Robert Hanson
Yes, the documentation is incorrect. It should read: Writes a file including only the previously selected atoms, modifying the coordinates to the current view if the file type is one of: CD, JSON, MOL, SDF, V2000, or V3000. Bob On Wed, Mar 12, 2014 at 6:50 PM, Angel Herráez wrote: > My test

Re: [Jmol-users] difference between "write" and "write coord" for MOL vs XYZ

2014-03-12 Thread Robert Hanson
WRITE Clipboard. Pretty sure that is one of the few losses of going JavaScript. Signed/All-Permissions applet or application only. On Wed, Mar 12, 2014 at 7:06 PM, Robert Hanson wrote: > Looks like I inadvertently removed that when I was working on the PyMOL > reader last June. Putting it bac

Re: [Jmol-users] difference between "write" and "write coord" for MOL vs XYZ

2014-03-12 Thread Robert Hanson
Looks like I inadvertently removed that when I was working on the PyMOL reader last June. Putting it back in seems to have no other effect than that reading a PyMOL file will change it from the Jmol default. The INITIALIZE command, though, resets it. OK, it's back. Bob On Wed, Mar 12, 2014 at

[Jmol-users] User feedback requested

2014-03-12 Thread Robert Hanson
JSmol users: Please consider writing a review for JSmol -- https://sourceforge.net/projects/jsmol/ Only two there right now! Bob -- Robert M. Hanson Larson-Anderson Professor of Chemistry St. Olaf College Northfield, MN http://www.stolaf.edu/people/hansonr If nature does not answer first wh

[Jmol-users] difference between "write" and "write coord" for MOL vs XYZ

2014-03-12 Thread Angel Herráez
My tests suggest that "write coord" will output modified coordinates (as the doc says) write coord ex.mol != write mol ex.mol = write ex.mol but only when MOL format is used, however when XYZ is chosen the output is always the same, original unmodified coordinates. Is that so? write coord ex.x

Re: [Jmol-users] Using ISOSURFACE =XXXX in jsmol

2014-03-12 Thread Robert Hanson
Must be a documentation error -- you need quotes around the file name in an isosurface command. The load, script, and write commands are special in that regard, but the isosurface command is so complicated it needs quotes. On Wed, Mar 12, 2014 at 1:15 PM, Dale Tronrud wrote: > Hi, > >I'm a

[Jmol-users] Using ISOSURFACE =XXXX in jsmol

2014-03-12 Thread Dale Tronrud
Hi, I'm a newbie to the jmol world and have been very impressed by what I've seen so far. I'm starting with a little web app to display a bit of a protein along with its electron density map. I'm using version 14.0.11. The documentation web page at http://chemapps.stolaf.edu/jmol/docs/?v

Re: [Jmol-users] MSIE 11 nuisance

2014-03-12 Thread Robert Hanson
I have released a version of JSmol that should work fine for MSIE from a local page in HTML5. If you need to use a local installation that works in MSIE, this is for you. http://chemapps.stolaf.edu/jmol/zip/jmol-14.1.12_2014.03.11.zip This includes an upgrade to jQuery 1.11.0, which I had to hack