Hey everyone,
I have a question concerning the Chem.MolToMolFile() function.
When I open this file containing a N+ (here is the line corresponding in
the mol file) :
11.3700 3.4360 -11.8300 N 0 3 0 0 0 0 0 0 0 0 0 0
And I just save it back withotu any modification, the line is then :
11.3700 3.4360 -11.8300 N 0 0 0 0 0 0 0 0 0 0 0 0
The problem is that for some software this mol file causes trouble and
the N+ is transformed to N with 4 bonds.
I tried several tricks but I was not able to save it as the original
line, does anyone has suggestion?
Thanks,
--
*Colin Bournez*
PhD Student, Structural Bioinformatics & Chemoinformatics
Institut de Chimie Organique et Analytique (ICOA), UMR CNRS-Université
d'Orléans 7311
Rue de Chartres, 45067 Orléans, France
T. +33 238 494 577
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