Hi,
Is there a phenix program that will insert the calculated CC (between the PDB and map) into the B-factor column? Thanks.
Best wishes,
Reza
On 07 Nov 2016, at 18:39, Nigel Moriarty <[email protected]> wrote:
Ludovic
Can you move to Rosetta 3.7 and let me know if it still fails?
Cheers
Nigel
---Nigel W. Moriarty
Building 33R0349, Molecular Biophysics and Integrated BioimagingLawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Phone : 510-486-5709 Email : [email protected]
Fax : 510-486-5909 Web : CCI.LBL.gov
On Thu, Nov 3, 2016 at 9:16 AM, ludovic Pecqueur <[email protected]> wrote:
Dear Phenix developers,
I installed the latest phenix version today (1.11.1-2575) on Centos 7.2
I have rosetta_2016.13.58602
When I try to compile the rosetta interface (after exporting PHENIX_ROSETTA_PATH), compilation fails (see end of message for errors).
When I compile the rosetta interface using phenix 1.11-2567, compilation goes to completion without errors.
If you have any idea of the change between the two versions leading to this issue.
Thank you for your help,
Ludovic.
########################
Error message:
Substituting phenix.python into build shell scripts
update_options.sh
update_ResidueType_enum_files.sh
/usr/local/PROGRAMS/ROSETTA/PHENIX_Rosetta_refine/rosetta_ src_2016.13.58602_bundle/main/ source
~> phenix.python scons.py bin mode=release extras=python -j 8
scons: Reading SConscript files ...
Running versioning script ... fatal: Not a git repository (or any parent up to mount point /usr/local)
Stopping at filesystem boundary (GIT_DISCOVERY_ACROSS_FILESYSTEM not set).
Done. (0.0 seconds)
file ./options.dox being updated
file ./full-options-list.md being updated
Number of option files updated: 2
Total 3657 options.
Finished updating ResidueProperty code -- no changes needed
Finished updating VariantType code -- no changes needed
scons: done reading SConscript files.
scons: Building targets ...
g++ -o build/src/release/linux/3.10/64/x86/gcc/4.8/python/ protocols/hybridization/ CartesianSampler.os -c -std=c++98 -ffor-scope -isystem external/boost_1_55_0/ -isystem external/ -isystem external/include/ -isystem external/dbio/ -pipe -Wall -Wextra -pedantic -Wno-long-long -Wno-strict-aliasing -march=core2 -mtune=generic -O3 -ffast-math -funroll-loops -finline-functions -finline-limit=20000 -s -Wno-unused-variable -Wno-unused-parameter -fPIC -DBOOST_ERROR_CODE_HEADER_ONLY -DBOOST_SYSTEM_NO_DEPRECATED -DBOOST_MATH_NO_LONG_DOUBLE_ MATH_FUNCTIONS -DPTR_BOOST -DNDEBUG -DWITH_PYTHON=1 -Isrc -Iexternal/include -Isrc/platform/linux/64/gcc/4. 8 -Isrc/platform/linux/64/gcc -Isrc/platform/linux/64 -Isrc/platform/linux -Iexternal/boost_1_55_0 -Iexternal -Iexternal/dbio -I/usr/include -I/usr/local/include -Iexternal/include/python2.7 src/protocols/hybridization/ CartesianSampler.cc
In file included from src/protocols/hybridization/CartesianSampler.cc:17:0:
src/core/scoring/cryst/PhenixInterface.hh:18:20: fatal error: Python.h: No such file or directory
#include "Python.h"
^
compilation terminated.
g++ -o build/src/release/linux/3.10/64/x86/gcc/4.8/python/ protocols/cryst/cryst_movers. os -c -std=c++98 -ffor-scope -isystem external/boost_1_55_0/ -isystem external/ -isystem external/include/ -isystem external/dbio/ -pipe -Wall -Wextra -pedantic -Wno-long-long -Wno-strict-aliasing -march=core2 -mtune=generic -O3 -ffast-math -funroll-loops -finline-functions -finline-limit=20000 -s -Wno-unused-variable -Wno-unused-parameter -fPIC -DBOOST_ERROR_CODE_HEADER_ONLY -DBOOST_SYSTEM_NO_DEPRECATED -DBOOST_MATH_NO_LONG_DOUBLE_ MATH_FUNCTIONS -DPTR_BOOST -DNDEBUG -DWITH_PYTHON=1 -Isrc -Iexternal/include -Isrc/platform/linux/64/gcc/4. 8 -Isrc/platform/linux/64/gcc -Isrc/platform/linux/64 -Isrc/platform/linux -Iexternal/boost_1_55_0 -Iexternal -Iexternal/dbio -I/usr/include -I/usr/local/include -Iexternal/include/python2.7 src/protocols/cryst/cryst_ movers.cc
In file included from src/protocols/cryst/cryst_movers.cc:16:0:
src/core/scoring/cryst/PhenixInterface.hh:18:20: fatal error: Python.h: No such file or directory
#include "Python.h"
^
compilation terminated.
gcc -o build/external/release/linux/3.10/64/x86/gcc/4.8/python/ libsqlite3.so -shared build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ dbio/sqlite3/sqlite3.os -L/usr/lib -L/usr/local/lib -Lexternal/lib -lpython2.7 -ldl -lpthread -lutil
g++ -o build/external/release/linux/3.10/64/x86/gcc/4.8/python/ libcifparse.so -Wl,-rpath=/usr/local/ PROGRAMS/ROSETTA/PHENIX_ Rosetta_refine/rosetta_src_ 2016.13.58602_bundle/main/ source/build/external/release/ linux/3.10/64/x86/gcc/4.8/ python -Wl,-rpath=\$ORIGIN -Wl,-rpath=\$ORIGIN/../lib -shared build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/BlockIO.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/CifDataInfo.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/CifExcept.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/CifFile.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/CifFileReadDef.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/CifParentChild.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/CifParserBase.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/CifScannerBase.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/CifString.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/DataInfo.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/DicFile.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/DICParserBase.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/DICScannerBase.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/Exceptions.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/GenCont.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/GenString.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/ISTable.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/ITTable.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/mapped_ptr_vector.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/mapped_vector.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/ParentChild.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/RcsbFile.!
os build/external/release/linux/3.10/64/x86/gcc/4.8/python/ cifparse/RcsbPlatform.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/Serializer.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/TableFile.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/TTable.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/CifParser.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/CifScanner.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/DICParser.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/DICScanner.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/regcomp.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/regerror.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/regexec.os build/external/release/linux/ 3.10/64/x86/gcc/4.8/python/ cifparse/regfree.os -Lexternal/lib -Lbuild/external/release/ linux/3.10/64/x86/gcc/4.8/ python -Lexternal -L/usr/lib -L/usr/local/lib -lpython2.7 -ldl -lpthread -lutil
g++ -o build/src/release/linux/3.10/64/x86/gcc/4.8/python/core/ scoring/cryst/PhenixInterface. os -c -std=c++98 -ffor-scope -isystem external/boost_1_55_0/ -isystem external/ -isystem external/include/ -isystem external/dbio/ -pipe -Wall -Wextra -pedantic -Wno-long-long -Wno-strict-aliasing -march=core2 -mtune=generic -O3 -ffast-math -funroll-loops -finline-functions -finline-limit=20000 -s -Wno-unused-variable -Wno-unused-parameter -fPIC -DBOOST_ERROR_CODE_HEADER_ONLY -DBOOST_SYSTEM_NO_DEPRECATED -DBOOST_MATH_NO_LONG_DOUBLE_ MATH_FUNCTIONS -DPTR_BOOST -DNDEBUG -DWITH_PYTHON=1 -Isrc -Iexternal/include -Isrc/platform/linux/64/gcc/4. 8 -Isrc/platform/linux/64/gcc -Isrc/platform/linux/64 -Isrc/platform/linux -Iexternal/boost_1_55_0 -Iexternal -Iexternal/dbio -I/usr/include -I/usr/local/include -Iexternal/include/python2.7 src/core/scoring/cryst/ PhenixInterface.cc
In file included from src/core/scoring/cryst/PhenixInterface.cc:15:0:
src/core/scoring/cryst/PhenixInterface.hh:18:20: fatal error: Python.h: No such file or directory
#include "Python.h"
^
compilation terminated.
g++ -o build/src/release/linux/3.10/64/x86/gcc/4.8/python/core/ scoring/cryst/XtalMLEnergy.os -c -std=c++98 -ffor-scope -isystem external/boost_1_55_0/ -isystem external/ -isystem external/include/ -isystem external/dbio/ -pipe -Wall -Wextra -pedantic -Wno-long-long -Wno-strict-aliasing -march=core2 -mtune=generic -O3 -ffast-math -funroll-loops -finline-functions -finline-limit=20000 -s -Wno-unused-variable -Wno-unused-parameter -fPIC -DBOOST_ERROR_CODE_HEADER_ONLY -DBOOST_SYSTEM_NO_DEPRECATED -DBOOST_MATH_NO_LONG_DOUBLE_ MATH_FUNCTIONS -DPTR_BOOST -DNDEBUG -DWITH_PYTHON=1 -Isrc -Iexternal/include -Isrc/platform/linux/64/gcc/4. 8 -Isrc/platform/linux/64/gcc -Isrc/platform/linux/64 -Isrc/platform/linux -Iexternal/boost_1_55_0 -Iexternal -Iexternal/dbio -I/usr/include -I/usr/local/include -Iexternal/include/python2.7 src/core/scoring/cryst/ XtalMLEnergy.cc
In file included from src/core/scoring/cryst/XtalMLEnergy.cc:16:0:
src/core/scoring/cryst/PhenixInterface.hh:18:20: fatal error: Python.h: No such file or directory
#include "Python.h"
^
compilation terminated.
scons: *** [build/src/release/linux/3.10/64/x86/gcc/4.8/python/ protocols/hybridization/ CartesianSampler.os] Error 1
scons: *** [build/src/release/linux/3.10/64/x86/gcc/4.8/python/ protocols/cryst/cryst_movers. os] Error 1
scons: *** [build/src/release/linux/3.10/64/x86/gcc/4.8/python/core/ scoring/cryst/PhenixInterface. os] Error 1
scons: *** [build/src/release/linux/3.10/64/x86/gcc/4.8/python/core/ scoring/cryst/XtalMLEnergy.os] Error 1
scons: building terminated because of errors.
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