Re: [Jmol-users] Compare SMILES Question

2017-03-30 Thread Otis Rothenberger
Bob, Thanks. I have a student worksheet with Jmol and JME working together. I thought I had to change my JME aromatic setting, but it looks like I dob't have to do that. Otis -- Otis Rothenberger o...@chemagic.org http://chemagic.org > On Mar 30, 2017, at 12:33 AM, Robert Hanson

Re: [Jmol-users] Compare SMILES Question

2017-03-29 Thread Robert Hanson
Yes, I think that is appropriate. $ print "C1=CC=CC=C1".find("smiles", "c1c1") 6 $ print "C1=CC=CC=C1".find("smiles", "/aromaticdefined/c1c1") 0 The first allows for different types of aromatic descriptions to be matched; the second does not. These "directives" are described in Table 8

[Jmol-users] Compare SMILES Question

2017-03-29 Thread Otis Rothenberger
Bob, I'm writing this question because I discovered that something is working that I thought should not work. With Jmol compare SMILES (key studentAnswer), I'm getting a match with the following: C1=CC=CC=C1 (JME) c1c1 (Jmol) C1=CC=CC=C1 is the Key c1c1 is the student answer This