[Chimera-users] Installing OpenMM in Chimera

Jaime Rodríguez-Guerra Pedregal Jaime.RodriguezGuerra at uab.cat
Mon Nov 30 09:04:59 PST 2015


I am trying to install OpenMM in Chimera to script some molecular dynamics. However, I am struggling to make it work, since the build fails with this error:

g++ -pthread -fPIC -mtune=generic -m64 -I/home/chimera/chimeraBuild_X11/build/build/include -L/home/chimera/chimeraBuild_X11/build/build/lib -DUSE_DYLD_GLOBAL_NAMESPACE -shared -Wl,--hash-style=both build/temp.linux-x86_64-2.7/src/swig_doxygen/OpenMMSwig.o -L/lib -R/lib -lOpenMM -lOpenMMAmoeba -lOpenMMRPMD -lOpenMMDrude -o build/lib.linux-x86_64-2.7/simtk/openmm/_openmm.so
g++: error: unrecognized command line option '-R'

which is probably not related to Chimera at all.

What I've done so far:

1. Download precompiled binaries for Linux from their site: https://simtk.org/project/xml/downloads.xml?group_id=161

2. Extract that file and merge the contents of the directories "include" and "lib" with those in Chimera root path.

3. Cd into the python directory of the extracted file and run: chimera --nogui --script "setup.py install".

Has somebody been successful with this package? I know it seems more of a compiler issue, but maybe Chimera is doing some trickery with the build mechanism too.

Thank you in advance,

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