[Jmol-users] Jmol/JSmol 3.2.4 and 3.3.4 released

2013-08-22 Thread Robert Hanson
See https://sourceforge.net/projects/jmol/files/ There is a feature change: FEATURE CHANGE: set wireframeRotation expanded to include bioshapes and isosurfaces Bug fixes in 3.2.4 and 3.3.4: bug fix: set wireframeRotation not working ("inMotion" flag not properly read in Viewer). bug fix: CIF re

Re: [Jmol-users] Help please

2013-08-22 Thread Angel Herráez
Not sure if / how this would affect the protein, but I think instead of using "select model=3;" you need to use "select 3.0;" or "select file=3;" (those will select all models in the 3rd file, which seems to be your intention since file nr.3 has 4 models) -

Re: [Jmol-users] Help please

2013-08-22 Thread Angel Herráez
Hello Liu Can you be more specific? That would help. By "multiple layer", do you mean several models (frames) are loaded together? Or something else? > http://bdb4.ucsd.edu/bind/surflex.jsp?PDB=1GSI&HET=TMP does not behave where not all the atoms and bonds in protein are cartooned. Which pa

Re: [Jmol-users] JSmol hacks to jQuery removed

2013-08-22 Thread Robert Hanson
OK, so right now I've released these: jsmol-13.3.4.zip Jmol-13.3.4 Jmol-13.2.4 and I've got it working to also release jsmol-13.2.4.zip Thanks for the comments. Bob On Thu, Aug 22, 2013 at 11:18 AM, Rolf Huehne wrote: > On 08/22/2013 05:56 PM, Angel Herráez wrote: > >> How important is it

Re: [Jmol-users] CDD3D - protein feature annotations on the fly with JSmol

2013-08-22 Thread Amjad Farooq
Hi Geoff, This is a great little widget . I just tried it and I think it is very useful to directly communicate with RCSB via Jmol. But, is there a way to directly homology model a protein sequence using the RCSB to provide a best matching template such that the modeled structured can be directly

[Jmol-users] CDD3D - protein feature annotations on the fly with JSmol

2013-08-22 Thread geoff . fucile
Dear Jmol People, I've implemented a novel method for evaluating conserved protein features from databases such as CDD using JSmol. You can check it out here: http://bar.utoronto.ca/CDD3D The user submits a query protein sequence of interest to search for similar proteins from the RCSB or

[Jmol-users] Help please

2013-08-22 Thread Liu, Tiqing
Dear Group, I am a developer in www.bindingdb.org using Jmol for some displays, like http://bdb4.ucsd.edu/bind/jmol_pdb.jsp?pdbid=1MRS&monomerid=50132286&polymerid=p5494&seq=100&title=pound34Thymidylate%20kinasepound34%20AND%20pound34CHEBI:270373pound34, and multiple layers http://bdb4.ucs

Re: [Jmol-users] JSmol hacks to jQuery removed

2013-08-22 Thread Rolf Huehne
On 08/22/2013 05:56 PM, Angel Herráez wrote: >> How important is it that we have a "stable" version of the applet that is >> different from the >> "development" version? > > Yes, see above. > What do others think? > I think it is very important. If you want to use it in a production environment s

Re: [Jmol-users] 3D printing using Jmol

2013-08-22 Thread Rzepa Henry
On 22 Aug 2013, at 17:17, Angel Herráez wrote: > Hi Henry! > >> Thanks to Bob (!) for implementing easy scaling when exporting to eg VRML. > > I missed that update. Can you point me to what it is? > set exportScale 8.0 Another useful hint might be eg http://www.netfabb.com/basic.php wh

Re: [Jmol-users] JSmol hacks to jQuery removed

2013-08-22 Thread Robert Hanson
Sorry, working too fast. On Thu, Aug 22, 2013 at 10:56 AM, Angel Herráez wrote: > > Well, actually, "_dev" means we haven't released that version yet. So > the next will be without _dev > > -- 13.3.4 and 13.4.4. I made the mistake last release to increase the > number as well, so that's > > prob

Re: [Jmol-users] 3D printing using Jmol

2013-08-22 Thread Angel Herráez
Hi Henry! > Thanks to Bob (!) for implementing easy scaling when exporting to eg VRML. I missed that update. Can you point me to what it is? > I would be interested how many on this list have already tried this, and what > sort of models I played a bit in July, ball and stick or molecular su

Re: [Jmol-users] JSmol hacks to jQuery removed

2013-08-22 Thread Angel Herráez
> Well, actually, "_dev" means we haven't released that version yet. So the > next will be without _dev > -- 13.3.4 and 13.4.4. I made the mistake last release to increase the number > as well, so that's > probably what is throwing you off. OK > 13.3 is the "stable" version. > 13.4 is the "de

Re: [Jmol-users] summer-time reading

2013-08-22 Thread Rzepa, Henry S
On 22 Aug 2013, at 11:49, Robert Hanson wrote: > I have found the book *The Big Switch* fascinating. > http://www.nicholasgcarr.com/bigswitch/ and recommend it. A bit off-topic > for this list, but Henry's recent posting re > http://www.shapeways.com relates precisely to one of the central th

[Jmol-users] summer-time reading

2013-08-22 Thread Robert Hanson
I have found the book *The Big Switch* fascinating. http://www.nicholasgcarr.com/bigswitch/ and recommend it. A bit off-topic for this list, but Henry's recent posting re http://www.shapeways.comrelates precisely to one of the central themes of the book - that there is a growing "gift" economy (

Re: [Jmol-users] JSmol hacks to jQuery removed

2013-08-22 Thread Robert Hanson
Well, actually, "_dev" means we haven't released that version yet. So the next will be without _dev -- 13.3.4 and 13.4.4. I made the mistake last release to increase the number as well, so that's probably what is throwing you off. 13.3 is the "stable" version. 13.4 is the "development version. Wi

[Jmol-users] 3D printing using Jmol

2013-08-22 Thread Rzepa, Henry S
Thanks to Bob (!) for implementing easy scaling when exporting to eg VRML. This has enabled more reliable success with eg 3D printing (see eg http://www.ch.imperial.ac.uk/rzepa/blog/?p=11022 ). I would be interested how many on this list have already tried this, and what sort of models (ge

Re: [Jmol-users] JSmol hacks to jQuery removed

2013-08-22 Thread Angel Herráez
> 13.3.4, I think. But what I'm not distinguishing between 13.3 and 13.4 for > JSmol/HTML5, only the > Java versions. Well, if this is introduced in some 13.3.4_dev, I think the description to be safe should say the next subversion.Otherwise, somone with an older 13.3.4 may xpect it to work. T