Re: [Jmol-users] new InChI option

2016-03-06 Thread Otis Rothenberger
OK, I see what’s doing it: Jmol.evaluateVar(jmolApplet0,"show('chemical inchi')”) VS Jmol.evaluateVar(jmolApplet0,"show('chemical stdinchi')”) I did not know that Resolver would do inch and stdinchi Otis -- Otis Rothenberger o...@chemagic.org http://chemagic.org > On Mar 7, 2016, at 1:47 AM

Re: [Jmol-users] new InChI option

2016-03-06 Thread osrothen
Bob, Neat. I'm a bit confused by the Resolver InChI report. It states 1/... "Calculate here" shows 1S/... I think Resolver only reports 1S/... - standard InChI. Are the results possibly cross-reported? One is standard InChI and the other is not. Otis -- Otis Rothenberger o...@chemagic.org h

Re: [Jmol-users] "Unrecognized file format for file ..."

2016-03-06 Thread Robert Hanson
It's very important to do this test. Please report what you find. On Sun, Mar 6, 2016 at 11:25 AM, Robert Hanson wrote: > If you open a console and instead use > > print load(".file name...") > > then you will see the contents of that file. Or, for that matter, you just > do that in your bro

Re: [Jmol-users] "Unrecognized file format for file ..."

2016-03-06 Thread T. Ashok Kumar
Try the following 1. Check *.htaccess* file if present, for file access permission. 2. Check access permission for that directory/file *chmod* (like *755* or *777*). 3.Check the file path *inside* or *outside* the directory of the webpage. 4. If the file is present outside the directory, use *../*

[Jmol-users] new InChI option

2016-03-06 Thread Robert Hanson
http://chemapps.stolaf.edu/jmol/jsmol/inchi.htm demonstrates a new option - calculating an InChI in JavaScript from a JSmol model. The InChI code is a bit heavy -- 800K. Interesting to compare with what NCI/CADD returns. Necessary files are in http://chemapps.stolaf.edu/jmol/jsmol/inchi The Ja

Re: [Jmol-users] "Unrecognized file format for file ..."

2016-03-06 Thread Rojan Shrestha
It says that "You don't have permission to access that file". Maybe it is permission issue. Do you know why it becomes permission issue? Best Regards, Rojan From: Robert Hanson Sent: Sunday, March 6, 2016 12:25:33 PM To: jmol-users@lists.sourceforge.net Subje

Re: [Jmol-users] jsmol does not activate molecule automaticaly (moodle)

2016-03-06 Thread Christian
Le 06/03/2016 18:23, Robert Hanson a écrit : > See https://docs.moodle.org/30/en/Jmol_filter where it indicates that you > need > to add a search item ?i=0 to your URL: Nice... it's work ! I use moodle 2.9 and read the 2.9 documentation where "?i=0" is not documented but it's work with this ver

Re: [Jmol-users] "Unrecognized file format for file ..."

2016-03-06 Thread Rojan Shrestha
That is typo mistake indeed both are same. From: Angel Herráez Sent: Sunday, March 6, 2016 1:57:21 PM To: jmol-users@lists.sourceforge.net Subject: Re: [Jmol-users] "Unrecognized file format for file ..." Rojan , why the difference in file name between your 2 exa

Re: [Jmol-users] "Unrecognized file format for file ..."

2016-03-06 Thread Rojan Shrestha
File path is correct. I have already checked. From: Robert Hanson Sent: Sunday, March 6, 2016 12:25:33 PM To: jmol-users@lists.sourceforge.net Subject: Re: [Jmol-users] "Unrecognized file format for file ..." If you open a console and instead use print load("...

Re: [Jmol-users] "Unrecognized file format for file ..."

2016-03-06 Thread Angel Herráez
Rojan , why the difference in file name between your 2 examples? ./chpdb/a0/1a0b.A.pdb ./test/1a0b.pdb Could that be the cause the file is not found? -- ___ Jmol-us

Re: [Jmol-users] "Unrecognized file format for file ..."

2016-03-06 Thread Robert Hanson
If you open a console and instead use print load(".file name...") then you will see the contents of that file. Or, for that matter, you just do that in your browser. That is a standard result of getting an HTTP "File Not Found" message from the server. On Sat, Mar 5, 2016 at 9:21 PM, Rojan S

Re: [Jmol-users] jsmol does not activate molecule automaticaly (moodle)

2016-03-06 Thread Robert Hanson
See https://docs.moodle.org/30/en/Jmol_filter where it indicates that you need to add a search item ?i=0 to your URL: *?i=0* results in the interactive structure being displayed directly (i.e. with no cover image). This may result in page load delays if, say, multiple Jmol objects are present in

Re: [Jmol-users] jsmol does not activate molecule automaticaly (moodle)

2016-03-06 Thread Angel Herráez
Hello Christian That is a feature of JSmol that may or not be enabled. It may involve one of these options: - coverImage - deferApplet - deferUncover (most probably the 2nd) They are described in http://wiki.jmol.org/index.php/Jmol_JavaScript_Object/Info#Startup_period It seems that the desi

[Jmol-users] jsmol does not activate molecule automaticaly (moodle)

2016-03-06 Thread Christian Westphal
Hello, I use jmol filter in moodle and I have a problem with it. When I include a molecule in my moodle, the applet work fine, but I need to click on the applet. (button with circular arrow and "activat 3D model" hint) (view screenshot) How can I activate automaticaly the model, without clicking