Hello,
I'm trying to make an executable that statically links to OpenBabel, using
this page:
http://openbabel.org/wiki/CMake#Creating_custom_static_binaries
The program I'm compiling works fine when I link dynamically to OpenBabel,
I'm only having problems when linking statically.
First of all, I'm getting a lot of warnings of "Cannot initialize database"
and "Cannot perform atom type translation: table cannot find requested
types." This doesn't seem to be the problem though, because the atom
conversions do seem to be working right.
I think the problem involves the use of the mmff94 forcefield. I'm getting
an error when trying to setup the forcefield (Open Babel Error in
ParseParamFile-- Cannot open parameter file). The line causing the error is
"forcefield->setup(obMolComplex, constraints)".
I set the forcefield log level to medium, and tried the static and dynamic
executables. The ATOM TYPES and FORMAL CHARGES output is the same, but the
PARTIAL CHARGES in the static build aren't right-- all but a couple are
actually the formal charges for that atom. Also, the static one fails at
SETTING UP BOND CALCULATIONS, with an error of "COULD NOT FIND PARAMETERS
FOR BOND 38-14 (IDX)..."
I have no idea what/where the problem is, so if anyone has any ideas that
would be great. If you need more information from me, let me know.
Thanks for your help.
Naveen
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