Thanks Damien! That's very helpful for understanding what's going on there.
Doug -sent from mobile- On Apr 13, 2016, at 5:33 PM, Damien Guillaume <dami...@msu.edu> wrote: >> I'm not recognizing or finding the name of the format used in >> organicresponse questions for the jmeanswer as in >> >> jmeanswer="4 3 C 6.33 -6.22 C 7.73 -6.22 O 8.43 -7.43 O 8.43 -5.00 1 2 1 2 >> 3 1 2 4 2" > > > From http://www.molinspiration.com/jme/doc/jme_functions.html : > > the format of the JME String is as follows > natoms nbonds (atomic_symbol x_coord y_coord) for all atoms (atom1 atom2 > bond_order) for all bonds > (for stereo bonds the bond order is -1 for up and -2 for down from the first > to the second atom) > JME tries to guess valence model (number of hydrogens) on the atom, you can > force your model by enclosing the atom symbol in square brackets (i.e. [NH2+]) > [...] > Molecules in multipart system are separated by the | character. Components of > the reaction are separated by the > character. The JME string for the > reaction is thus "reactant1 | reactant 2 ... > modulator(s) > product(s)" > > Damien > _______________________________________________ > LON-CAPA-users mailing list > LON-CAPA-users@mail.lon-capa.org > http://mail.lon-capa.org/mailman/listinfo/lon-capa-users _______________________________________________ LON-CAPA-users mailing list LON-CAPA-users@mail.lon-capa.org http://mail.lon-capa.org/mailman/listinfo/lon-capa-users
