Molmodel trunk updated to use Simbody 3.0

[Michael Sherman]

For anyone building Molmodel from source:

I just created branches/Molmodel2.3 from the trunk, and then updated the trunk so that it is compatible with the Simbody trunk, which is currently Simbody 3.0. There were a few API incompatibilities between Simbody 3.0 and earlier releases that affected Molmodel.

So ... you can use the Molmodel 2.3 branch with Simbody's Simbody2.3 branch, or you can used the Molmodel trunk (3.0) with the Simbody trunk (also 3.0), but you can't mix and match!

Regards,
Sherm

[David Minh]

Does Molmodel work with the latest Simbody, 3.5.4? I'm not sure how to set all the options for Simbody_*.

Screen Shot 2016-10-01 at 11.26.55 PM.png (198.53 KiB) Viewed 1024 times

[Michael Sherman]

Should work since the API is unchanged. Hasn't been tested though. Please post if you get it to work.

[Frank Eisenmenger]

Hi,

On my Linux Box (Fedora 24), I compiled, tested & installed simbody from sources to /usr/local/SimTK.

When 'cmaking' molmodel/trunk, everything goes fine, until

Building CXX object examples/CMakeFiles/ExampleLoadPdb.dir/ExampleLoadPdb.cpp.o
/home/frank/Software/MolModel/molmodel/trunk/examples/ExampleLoadPdb.cpp: In function ‘int main()’:
/home/frank/Software/MolModel/molmodel/trunk/examples/ExampleLoadPdb.cpp:18:31: error: no matching function for call to ‘SimTK::PDBReader::createCompounds(SimTK::CompoundSystem&)’
pdb.createCompounds(system);

Something similar happens when tests are compiled:

Building CXX object tests/CMakeFiles/TestPdb.dir/TestPdb.cpp.o
/home/frank/Software/MolModel/molmodel/trunk/tests/TestPdb.cpp: In function ‘void testMatchDefaultBreaksPlanarity()’:
/home/frank/Software/MolModel/molmodel/trunk/tests/TestPdb.cpp:120:44: error: no matching function for call to ‘SimTK::RNA::matchDefaultAtomChirality(SimTK::Compound::AtomTargetLocations&)’
..

Do I missed out some environment settings ?

Best,
Frank