Re: [Jmol-users] Rapamycin

Great idea, Angel. load ==RAP ​ -- What NetFlow Analyzer can do for you? Monitors network bandwidth and traffic patterns at an interface-level. Reveals which users, apps, and protocols are consuming the most bandwidth.

Re: [Jmol-users] Rapamycin

Sorry, something was preventing models from loading --only in some browsers. I have changed to a newer Jmol version (14.6). Please force reload of the page and it should work now > > a little fun: browse rapamycin structures at PDB: > > > > http://biomodel.uah.es/JSmol/rapamycin.htm > >

Re: [Jmol-users] Rapamycin

D yes not load anything for me?? > On Jul 19, 2016, at 3:03 PM, Angel Herráez wrote: > > a little fun: browse rapamycin structures at PDB: > > http://biomodel.uah.es/JSmol/rapamycin.htm > > > >

Re: [Jmol-users] Rapamycin

a little fun: browse rapamycin structures at PDB: http://biomodel.uah.es/JSmol/rapamycin.htm -- What NetFlow Analyzer can do for you? Monitors network bandwidth and traffic patterns at an interface-level. Reveals

Re: [Jmol-users] Rapamycin

. The result looks quite good. I have put it onto a web page as an exercise: http://www.biotopics.co.uk/jsmol/rapamycin.html How does it look to you? Richard Steane -Original Message- From: Philip Bays Sent: Tuesday, July 19, 2016 5:56 PM To: Jmol Jmol Subject: Re: [Jmol-users] Rapamycin Yea. I

Re: [Jmol-users] Rapamycin

Yea. I had just found that. > On Jul 19, 2016, at 12:38 PM, Angel Herráez wrote: > > Hi Phil > > Going to PubChem, Compound Summary for CID 5284616 > has a "download" menu that offers no 3D structure but says "Protein-bound > 3D structures" -- their format are not

Re: [Jmol-users] Rapamycin

Hi Phil Going to PubChem, Compound Summary for CID 5284616 has a "download" menu that offers no 3D structure but says "Protein-bound 3D structures" -- their format are not helpful, but you can search in PDB for rapamycin and will find this ligand as RAP Hence, Jmol console load ==RAP and you

Re: [Jmol-users] Rapamycin

I have looked at it a little more. Turns out that the exported structures do load into JSmol (…. 06.30) with the odd exception of the .spardir. It will load by dropping it one the JSmol window, but will not with the load local file. For that I get a “no atoms found” error. That is true of

Re: [Jmol-users] Rapamycin

Phil, Resolver is string entry “smart,” so you can use load $IDENTIFIER from the console or a script. You might need the InChI= in the IDENTIFIER string. When I tried this, it was flat! While CORINA docs state that there is no atom limit, you have to get through CORINA’s ensemble creation

[Jmol-users] Rapamycin

I was intrigued by the structure of the macrolide rapamycin after reading the article in C yesterday. So I went after the 3-D structure. I could not find it in any of the databases used by standard JSmol so I went off the Wikipedia and copied the smiles and inche strings. Using the console I