Re: [Jmol-users] PDB format replacement

2015-01-29 Thread Robert Hanson
My point was that you can easily create a CIF with Perl or anything else that Jmol will parse *for the information in the ATOM/HETATM/CONECT lines*, which is what it sounded like you were saying. You did not refer to specific REMARK records. Some of those are more involved. Basically you just add

Re: [Jmol-users] Sites using Jmol/JSmol capable of loading a pdb/sdf file of one's own

2015-01-29 Thread Eric Martz
Another place you can park files online, free (as long as they have something to do with bioinformatics) is bioinformatics.org. Create a free account, then apply for a free project page. Example: http://www.bioinformatics.org/firstglance/fgij/localPDBFiles/bilagram.pdb.gz Eric On 1/29/15 4:19

Re: [Jmol-users] Sites using Jmol/JSmol capable of loading a pdb/sdf file of one's own

2015-01-29 Thread Eric Martz
Hello, Brenton, If I understand your question, this is something that FirstGlance in Jmol has supported for many years. The goal was for an educator to make a webpage with a list of molecules. Each one would have a link that showed the molecule in FirstGlance. Instructions are here: http://bio

Re: [Jmol-users] PDB format replacement

2015-01-29 Thread Rolf Huehne
On 01/29/2015 06:21 PM, Robert Hanson wrote: > I guess it must have to do with what you mean by "etc"?? Maybe I did not > understand your original question: > > > > > > > > > *Hi all, I am looking for a replacement for the PDB format that offers the > same options like predefined atom numbers, atom

Re: [Jmol-users] PDB format replacement

2015-01-29 Thread Robert Hanson
I guess it must have to do with what you mean by "etc"?? Maybe I did not understand your original question: *Hi all, I am looking for a replacement for the PDB format that offers the same options like predefined atom numbers, atom names, residue names etc. after loading into Jmol. But witho

Re: [Jmol-users] PDB format replacement

2015-01-29 Thread Rolf Huehne
On 01/28/2015 08:23 PM, Robert Hanson wrote: > In terms of parsers for *all *the information in an mmCIF file, there are > several out there. I happen to think Jmol's is the best. It's > Java/JavaScript; there are C++ versions as well. Basically, when you load > JSmol, you have a complete CIF pars

Re: [Jmol-users] Sites using Jmol/JSmol capable of loading a pdb/sdf file of one's own

2015-01-29 Thread Angel Herráez
At least in Google Drive, your (personal) URL link will not work, you need to first "share" the file to "anyone that has the link" and then copy the link for downloading as Bob pointed out, rather than the link to view the file. Otherwise, maybe other services are easier for direct links. I use