Re: [Jmol-users] Resolver SMILES input errors

2016-03-23 Thread Robert Hanson
got it! I have made changes to Jmol and JSmol to direct PDB default loading to be from files.rcsb.org see https://sourceforge.net/projects/jmol/files/Jmol/Version%2014.4/Version%2014.4.4/ * Download Jmol-14.4.4_2016.03.24-binary.zip (61.2 MB)

Re: [Jmol-users] Resolver SMILES input errors

2016-03-23 Thread Robert Hanson
On Wed, Mar 23, 2016 at 10:15 AM, Otis Rothenberger wrote: > Bob, > > C(\C)/1=C/C=C.C\1=C > > Resolver cannot read this, and I’m now thinking that it’s, understandably, > geometry confused. I don’t know how to read these things, so I’m not sure. > Interestingly, if I send the molfile to the new i

[Jmol-users] Resolver SMILES input errors

2016-03-23 Thread Otis Rothenberger
Bob, The CORINA documentation that I sent in my last email made me start thinking about an old problem. At the end of the CORINA documentation there is an extensive list of SMILES and stereochemistry input errors that CORINA throws. Over the years, the Jmol SMILES Resolver input problems that I