load h2so4_nbo.log filter "NBOCharges MO"
model 2;label %P;mo 10
On Tue, Oct 27, 2009 at 6:38 PM, Xavier Prat-Resina wrote:
> Thanks for the fast response Bob.
>
> I meant to have access to the NBO charges at the same time as the regular
> MOs,
> not the Natural Bond Orbitals.
> I'm using the sam
Phil Cunningham wrote:
> HI
> I have a protein, 2 chaind displaye din Jmol window both on the web and
> standalone
>
> on the web i use a script to select all Transmenebrane regions usng a
> script Ior (reset them)
> I intend to highligh or reset JUST the TM regions
>
> this is fine stand alon
Yes same version (a copy!)
Phil
Angel Herráez wrote:
> Phil, the app (standalone) and applet (webpage) should do the same.
> First, make sure you are using the same Jmol version in both. If it
> is so, we can keep investigating.
>
>
>
> --
El 30 Oct 2009 a las 16:52, Phil Cunningham escribió:
> You can view my effort at
> http://www.kcl.ac.uk/ip/philcunningham/christer/oct09/3h90.html
> the all tm button is on the right hand side
When I try that, checking "all tm" paintes them in red, unchecking
paints them in grey. So I think it
What are the two versions you are using? Oh, I see 11.6.25 there -- please
upgrade the applet to 11.8.
On Fri, Oct 30, 2009 at 11:52 AM, Phil Cunningham wrote:
> HI
> I have a protein, 2 chaind displaye din Jmol window both on the web and
> standalone
>
> on the web i use a script to select a
Phil, the app (standalone) and applet (webpage) should do the same.
First, make sure you are using the same Jmol version in both. If it
is so, we can keep investigating.
--
Come build with us! The BlackBerry(R) Develope
Writing surface files -- with the latest build (not released as JAR yet) I
recommend writing ".xjvxl" files -- this produces a valid XML version of the
surface file that can be read with Jmol 11.9.7.
Bob
On Fri, Oct 30, 2009 at 9:32 AM, Rzepa, Henry wrote:
> >On Fri, Oct 30, 2009 at 3:03 PM, Rz
HI
I have a protein, 2 chaind displaye din Jmol window both on the web and
standalone
on the web i use a script to select all Transmenebrane regions usng a
script Ior (reset them)
I intend to highligh or reset JUST the TM regions
this is fine stand alone but within a web page my selection /col
>On Fri, Oct 30, 2009 at 3:03 PM, Rzepa, Henry wrote:
>> As it happens, Bob and I have been having a discussion about eg saving XYZ
>> (with
>> vibrational vectors). Bob's documentation does describe the process,
>> although of course
>> one has to use the signed applet to use the write comm
On Fri, Oct 30, 2009 at 3:03 PM, Rzepa, Henry wrote:
> As it happens, Bob and I have been having a discussion about eg saving XYZ
> (with
> vibrational vectors). Bob's documentation does describe the process,
> although of course
> one has to use the signed applet to use the write command if
>Hi all,
>
>is Jmol still able to save the content? For example as CML or perhaps
>MDL molfile or XYZ?
As it happens, Bob and I have been having a discussion about eg saving XYZ
(with vibrational vectors). Bob's documentation does describe the process,
although of course one has to use the s
Hi all,
is Jmol still able to save the content? For example as CML or perhaps
MDL molfile or XYZ?
Egon
--
Post-doc @ Uppsala University
Homepage: http://egonw.github.com/
Blog: http://chem-bla-ics.blogspot.com/
PubList: http://www.citeulike.org/user/egonw/tag/papers
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