After quickly writing a MolFile generator for some fictional structures,
the generated MolFile strings load acceptably in Jmol but produce several
error lines containing '0 0' is not a recognized symbol.
Any idea why? Here's an example file:
unknown
NDB/matchbOx/03022013221425
4 4 0 0 0 0 0 0 0 0 1 V2000
0.0000 0.0000 0 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 1.0000 0 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0000 0.0000 0 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0000 1.0000 0 C 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
M END
$$$$
Even the cited benzene example
here<http://en.wikipedia.org/wiki/Chemical_table_file>generates a ''
is not a recognized symbol.
David
------------------------------------------------------------------------------
Everyone hates slow websites. So do we.
Make your web apps faster with AppDynamics
Download AppDynamics Lite for free today:
http://p.sf.net/sfu/appdyn_d2d_jan
_______________________________________________
Jmol-developers mailing list
Jmol-developers@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/jmol-developers
