The plan is to leave the daily binaries up on SourceForge UNLESS there is a
critical error that necesitates removing one from consideration. I hope not
to have to do that. Bear with me if I do. I suggest giving 24 to 48 hours
buffer between your loading the latest version into the MacPort if possib
Yes, it is possible that Jmol's algorithm for calculating Hbonds (intended for
proteins and DNA) may not take S into account
How about
connect 2.5 3.7 (hydrogen and connected(oxygen))(sulfur) hbond
adjusting the distances?
-
Hello everybody,
Is there some way to include sulfur atoms when using the "calculate hbonds"
command?
I can use "connect 2.5 3.7 (oxygen)(sulfur) hbond" but then the resulting
bonds do not take into account the O-H...S angle.
Any ideas?
Have a nice day
Victor
--
On 20 June 2014 21:26, Rolf Huehne wrote:
> On 06/20/2014 05:39 PM, Ravi Raja Merugu wrote:
> > Dear Rolf, i forgot to mention, the viewer is responsive, it loads JAVA
> > based viewer if JAVA is installed and enabled, otherwise it switches to
> > HTML5 WEBGL mode. Did you use the viewer using JA
On 06/20/2014 05:19 PM, Ravi Raja Merugu wrote:
> Thanks you very much Rolf, for the feedback in detailed,
> 1. Actually its taking much time to render in HTML5/WEBGL mode because the
> viewer takes whole space of the browser, more like a full screen mode, so
> HTML5 version of the viewer is pretty
On 06/20/2014 05:39 PM, Ravi Raja Merugu wrote:
> Dear Rolf, i forgot to mention, the viewer is responsive, it loads JAVA
> based viewer if JAVA is installed and enabled, otherwise it switches to
> HTML5 WEBGL mode. Did you use the viewer using JAVA engine or HTML5
> rendering engine !!
>
As far as
Dear Rolf, i forgot to mention, the viewer is responsive, it loads JAVA
based viewer if JAVA is installed and enabled, otherwise it switches to
HTML5 WEBGL mode. Did you use the viewer using JAVA engine or HTML5
rendering engine !!
On 20 June 2014 20:49, Ravi Raja Merugu wrote:
> Thanks you ver
Thanks you very much Rolf, for the feedback in detailed,
1. Actually its taking much time to render in HTML5/WEBGL mode because the
viewer takes whole space of the browser, more like a full screen mode, so
HTML5 version of the viewer is pretty slow in rending the whole
screen(wider your screen slow
On Fri, Jun 20, 2014 at 12:46 PM, Angel Herráez wrote:
> My concerns are about correct atom position, and also adding more
> atoms that were not present and should go in the right positions too.
Understood and agreed... if I think of the nanotox field, however,
they typically do not know how much
On 06/18/2014 01:23 PM, Ravi Raja Merugu wrote:
> Dear Rolf and jaime,
>
> I talked to my web hosting providers and they say currently my website is
> not accessible for few of international countries. They might fix this in
> few hrs. I will update when its done,
>
Ravi, the website is now accessi
On 06/20/2014 12:49 PM, Angel Herráez wrote:
> Peter,
>
> Daily releases at StOlaf server are certainly not something to point
> to in an automated way, in my opinion.
> You should only target releases at SourceForge, which are not so
> frequent and do no disappear --at least if they are not broken
Peter,
Daily releases at StOlaf server are certainly not something to point
to in an automated way, in my opinion.
You should only target releases at SourceForge, which are not so
frequent and do no disappear --at least if they are not broken.
(Bob is away abroad and has little internet now)
@Egon,
> would it be very difficult to update the Jmol scripting language to
> change the chemical nature (or just add atoms) to a selection of
> atoms?
>
> That is, for spheric nanomaterials, one can probably select all atoms
> at the surface (e.g. at a certain distance from the center of the
>
Dear Bob,
sorry for dragging this one up again. However I just noticed, that older daily
releases disappear once you upload a new one. This makes it EXTREMELY difficult
for me to maintain a port file for jmol.
* A port file references a specific binary; it verifies the sha1sum of this
binary a
Am 19.06.2014 23:11, schrieb Robert Hanson:
>
> display symop=2 and *:A
That's the solution and quite simple. I was not aware that it is
possible to use symop with display. However, it's perfect and I'm glad
that I have not to deal with the atomindices :)
Thank you everyone for the detailed answ
Kazem,
On Fri, Jun 20, 2014 at 8:37 AM, Kazem Sepehrinia wrote:
> I have made a silica nanoparticle using Materials Studio and I want to
> modify surface chemistry of it, I want to remove unwanted groups from the
> surface and create some new groups on the surface of nanoparticle in manner
> that
Bob,
On Fri, Jun 20, 2014 at 9:31 AM, Angel Herráez wrote:
> I do not think that Jmol is your best tool for that, since I am
> guessing there will be a lot of (repetitive) silica groups to which
> the new groups must be added. Removal of groups is probably easy.
> For just one addition it could b
Dear Angel
Thanks for your consideration and quick response :-)
Regards
On Fri, Jun 20, 2014 at 12:01 PM, Angel Herráez
wrote:
> Hello Kazem
>
> I do not think that Jmol is your best tool for that, since I am
> guessing there will be a lot of (repetitive) silica groups to which
> the new grou
Hello Kazem
I do not think that Jmol is your best tool for that, since I am
guessing there will be a lot of (repetitive) silica groups to which
the new groups must be added. Removal of groups is probably easy.
For just one addition it could be done, although still not the best
choice.
Althoug
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