[Jmol-users] Load command and NMR structures

Dear all, I am having troubles loading a specific model from a NMR file. I suppose the issue here is that the NMR file, 1sag, has model numbers ranging from 27 to 52 only. (There is no model number 1.) Trying to load only model 29 from this file using the documented syntax of the 'load'

Re: [Jmol-users] Load command and NMR structures

Hi Chris I am not sure, but I recall that there may be a difference between internal model number and sequential model number in Jmol frame or model commands. Check the docs and, in any case, try using number 3 (27 could be 1, first model, so 29 is 3)

Re: [Jmol-users] 11.5.51 new features... CIF Beta_ij

whoa! Alan -- please VERIFY that it works before you endorse it. I ASSUMED this was ORTEP type 0. Nothing more. This needs checking! Also, it occurs to me that MAYBE the reason CIF format docs do not define these terms is that they are not known for sure -- that the betaij values might imply

Re: [Jmol-users] 11.5.51 new features... CIF Beta_ij

Understood Bob. But as you know, a scientist finding some structure of interest in a database will ultimately want to go back to the original publication as the primary source. (Even that should be assumed to be sometimes wrong :-) I will check the Jmol drawings in ICSD as far as reasonable, but

Re: [Jmol-users] RFC - new look for toolbar

Oh, those are very good! I quite like that set Kalzium is a periodic table viewer, so perhaps not that confusing? On the idea of adding a J to the kalzium icon, perhaps it could be the J from the Java logo? -Tom On Sun, Jul 27, 2008 at 1:15 PM, Angel Herráez [EMAIL PROTECTED] wrote:

[Jmol-users] Is anybody else noticing a failure of the measure command in 11.5.52_dev?

Measurements by clicking seem to work, but I'm getting no display when I issue the script command measure allconnected (*)(*). I've tried a number of different files. Jonathan Dr. Jonathan H. Gutow Chemistry Department [EMAIL