Hi,
Sometimes I have this error message, when I work with mol2 files:
** Open Babel Warning in ReadMolecule
This Mol2 file is non-standard. Cannot interpret atom types
correctly, instead attempting to interpret as elements instead.
E.g. if in the mol2 file, a C.ar is wrongly typed "C.a".
I would like the see which molecule is wrong.
I went in src/formats/mol2format.cpp, line 226...
added this line after "if ( !elemno ) {" :
cout << mol.GetTitle();
and modified the error message to be sure that the modification is
taken in account (simply modified "Mol2" in "mol2").
I compiled again:
cmake -DCMAKE_INSTALL_PREFIX=/opt/OPENBABEL/SUBVERSION/INSTALL
-DRUN_SWIG=ON -DPYTHON_BINDINGS=ON
/opt/OPENBABEL/SUBVERSION/src/openbabel/
make
make install
But strictly nothing happens, the error message stays the same...
Any tip? Thanks!
Regards,
Pascal
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