[med-svn] [pdb2pqr] branch master updated (b455fd7 -> 2409562)
Andreas Tille
tille at debian.org
Sat May 7 22:04:21 UTC 2016
This is an automated email from the git hooks/post-receive script.
tille pushed a change to branch master
in repository pdb2pqr.
from b455fd7 Upload to unstable
new f37b67d Add new options to d/watch
new 61433dc Imported Upstream version 2.1.1+dfsg
new 37cacba Merge tag 'upstream/2.1.1+dfsg'
new 61c25a0 New upstream version
new d69d863 Refresh patches
new 4bfcc38 cme fix dpkg-control
new 0cfc32f Python3
new 43baff5 We do not really have valid Python3 code
new 30c0c91 drop wrapper and use links instead; fix interpreter lines by dos2unix
new 2409562 Upload to unstable
The 10 revisions listed above as "new" are entirely new to this
repository and will be described in separate emails. The revisions
listed as "adds" were already present in the repository and have only
been added to this reference.
Summary of changes:
.htaccess | 2 +-
3dmol/css/foundation.css | 12404 +-
3dmol/css/pure-min.css | 20 +-
3dmol/css/toggles.css | 288 +-
3dmol/css/ui_css.css | 18 +-
3dmol/files/1fas.cube | 406424 +++++++++---------
AUTHORS | 2 +-
AppService_client.py | 286 +-
AppService_services.py | 1090 +-
AppService_services_types.py | 2286 +-
AppService_types.py | 1484 +-
BINARY_README.md | 28 +-
COPYING | 60 +-
ChangeLog.md | 42 +-
INSTALL.md | 183 +-
NEWS | 6 +-
README.md | 23 +-
ServerNotes.md | 144 +-
ZSI/LBNLCopyright | 82 +-
ZSI/ServiceContainer.py | 994 +-
ZSI/ServiceProxy.py | 714 +-
ZSI/TC.py | 3602 +-
ZSI/TCapache.py | 150 +-
ZSI/TCcompound.py | 1358 +-
ZSI/TCnumbers.py | 368 +-
ZSI/TCtimes.py | 642 +-
ZSI/__init__.py | 866 +-
ZSI/address.py | 498 +-
ZSI/auth.py | 130 +-
ZSI/client.py | 1148 +-
ZSI/digest_auth.py | 224 +-
ZSI/dispatch.py | 596 +-
ZSI/fault.py | 524 +-
ZSI/generate/__init__.py | 48 +-
ZSI/generate/commands.py | 1074 +-
ZSI/generate/containers.py | 6016 +-
ZSI/generate/pyclass.py | 570 +-
ZSI/generate/utility.py | 318 +-
ZSI/generate/wsdl2dispatch.py | 846 +-
ZSI/generate/wsdl2python.py | 1114 +-
ZSI/parse.py | 756 +-
ZSI/resolvers.py | 294 +-
ZSI/schema.py | 850 +-
ZSI/twisted/WSresource.py | 720 +-
ZSI/twisted/WSsecurity.py | 778 +-
ZSI/twisted/__init__.py | 16 +-
ZSI/twisted/client.py | 688 +-
ZSI/twisted/interfaces.py | 230 +-
ZSI/twisted/reverse.py | 182 +-
ZSI/twisted/wsgi.py | 606 +-
ZSI/typeinterpreter.py | 266 +-
ZSI/version.py | 4 +-
ZSI/writer.py | 380 +-
ZSI/wstools/Namespaces.py | 388 +-
ZSI/wstools/TimeoutSocket.py | 358 +-
ZSI/wstools/UserTuple.py | 198 +-
ZSI/wstools/Utility.py | 2762 +-
ZSI/wstools/WSDLTools.py | 3336 +-
ZSI/wstools/XMLSchema.py | 6224 +-
ZSI/wstools/XMLname.py | 180 +-
ZSI/wstools/ZPL | 122 +-
ZSI/wstools/__init__.py | 18 +-
ZSI/wstools/c14n.py | 866 +-
ZSI/wstools/license.txt | 88 +-
ZSI/wstools/logging.py | 548 +-
ZSI/wstools/test/.cvsignore | 2 +-
ZSI/wstools/test/README | 104 +-
ZSI/wstools/test/__init__.py | 10 +-
ZSI/wstools/test/config.txt | 724 +-
ZSI/wstools/test/test_t1.py | 40 +-
ZSI/wstools/test/test_wsdl.py | 320 +-
ZSI/wstools/test/test_wstools.py | 74 +-
ZSI/wstools/test/test_wstools_net.py | 40 +-
apbs_cgi.py | 3536 +-
conf_avg/Ensemble_phimap.py | 528 +-
conf_avg/Gromacs_class.py | 594 +-
conf_avg/phimap_class.py | 128 +-
dat/AA.xml | 5872 +-
dat/AMBER.DAT | 4518 +-
dat/AMBER.names | 216 +-
dat/CHARMM.DAT | 5194 +-
dat/CHARMM.names | 554 +-
dat/HYDROGENS.xml | 298 +-
dat/NA.xml | 3098 +-
dat/PARSE.DAT | 2226 +-
dat/PARSE.names | 458 +-
dat/PATCHES.xml | 1310 +-
dat/PEOEPB.DAT | 2576 +-
dat/PEOEPB.names | 132 +-
dat/SWANSON.DAT | 2522 +-
dat/SWANSON.names | 120 +-
dat/TOPOLOGY.xml | 6358 +-
dat/TYL06.DAT | 4536 +-
dat/TYL06.names | 188 +-
debian/changelog | 10 +
debian/control | 9 +-
debian/patches/fix-hashbangs.patch | 38 +-
debian/patches/no_privacy_breach_logo.patch | 57 +-
debian/pdb2pqr.links | 4 +-
debian/rules | 27 +-
debian/watch | 2 +-
doc/PDB2PQR Release SOP.md | 258 +-
doc/flowchart.dot | 478 +-
doc/genpydoc.sh | 100 +-
doc/license.txt | 62 +-
doc/programmerguide.html | 490 +-
doc/pydoc/.htaccess | 2 +-
doc/pydoc/copy.html | 324 +-
doc/pydoc/getopt.html | 452 +-
doc/pydoc/index.html | 86 +-
doc/pydoc/math.html | 320 +-
doc/pydoc/os.html | 1946 +-
doc/pydoc/pdb2pqr.html | 184 +-
doc/pydoc/re.html | 488 +-
doc/pydoc/src.aa.html | 7460 +-
doc/pydoc/src.definitions.html | 1202 +-
doc/pydoc/src.forcefield.html | 904 +-
doc/pydoc/src.html | 70 +-
doc/pydoc/src.hydrogens.html | 2366 +-
doc/pydoc/src.inputgen.html | 326 +-
doc/pydoc/src.na.html | 3670 +-
doc/pydoc/src.pdb.html | 5722 +-
doc/pydoc/src.protein.html | 364 +-
doc/pydoc/src.psize.html | 362 +-
doc/pydoc/src.quatfit.html | 412 +-
doc/pydoc/src.routines.html | 784 +-
doc/pydoc/src.server.html | 264 +-
doc/pydoc/src.structures.html | 930 +-
doc/pydoc/src.topology.html | 752 +-
doc/pydoc/src.utilities.html | 492 +-
doc/pydoc/string.html | 630 +-
doc/pydoc/sys.html | 506 +-
doc/pydoc/time.html | 470 +-
doc/pydoc/xml.sax.html | 132 +-
doc/template | 128 +-
doc/userguide.html | 1556 +-
examples/1a1p/1a1p.pdb | 418 +-
examples/1a1p/README | 188 +-
examples/build_config.py | 122 +-
examples/graphcut/run-graphcut.sh | 34 +
examples/index.html | 510 +-
examples/ligands/LIG_1ABF.mol2 | 114 +-
examples/ligands/LIG_1HPV.mol2 | 306 +-
examples/ligands/LIG_1HPX.mol2 | 376 +-
examples/ligands/LIG_1QBS.mol2 | 350 +-
examples/ligands/LIG_1XL5.mol2 | 330 +-
examples/ligands/README | 8 +-
extensions/README | 6 +-
extensions/__init__.py | 232 +-
extensions/chi.py | 140 +-
extensions/contact.py | 160 +-
extensions/hbond.py | 322 +-
extensions/rama.py | 204 +-
extensions/salt.py | 166 +-
extensions/template | 168 +-
fabfile.py | 26 +-
fabfile_settings.py | 6 +-
html/README | 6 +-
html/master-index.html | 418 +-
html/server.html.in | 746 +-
main.py | 1550 +-
main_cgi.py | 1356 +-
pdb2pka/NEWligand_topology.py | 1362 +-
pdb2pka/TITRATION.DAT | 210 +-
pdb2pka/apbs.py | 848 +-
pdb2pka/charge_mon.py | 214 +-
pdb2pka/example.py | 596 +-
pdb2pka/graph_cut/create_titration_output.py | 20 +-
pdb2pka/graph_cut/graph.py | 221 +-
pdb2pka/graph_cut/protein_complex.py | 1494 +-
pdb2pka/graph_cut/titration_curve.py | 447 +-
pdb2pka/graph_cut/uncertainty.py | 203 +-
pdb2pka/graph_cut/utils.py | 194 +-
pdb2pka/inputgen_pKa.py | 674 +-
pdb2pka/ligand_topology.py | 1376 +-
pdb2pka/ligandclean/__init__.py | 4 +-
pdb2pka/ligandclean/ligff.py | 778 +-
pdb2pka/ligandclean/lookuptable.py | 18 +-
pdb2pka/ligandclean/peoe_PDB2PQR.py | 294 +-
pdb2pka/ligandclean/templates.py | 210 +-
pdb2pka/ligandclean/testcomplexes/1k1i.pdb | 3270 +-
pdb2pka/ligandclean/testcomplexes/1qbs_clean.pdb | 3028 +-
.../ligandclean/testcomplexes/1qbs_lig_clean.mol2 | 364 +-
pdb2pka/ligandclean/testcomplexes/1qbs_test.pdb | 30 +-
pdb2pka/ligandclean/testcomplexes/1us0_ASP43.pdb | 16 +-
pdb2pka/ligandclean/testcomplexes/1us0_clean.pdb | 4988 +-
.../ligandclean/testcomplexes/1us0_lig_clean.mol2 | 178 +-
pdb2pka/ligandclean/testcomplexes/IDD594.mol2 | 178 +-
pdb2pka/ligandclean/testcomplexes/LIG1B.mol2 | 296 +-
pdb2pka/ligandclean/testcomplexes/ac2.mol2 | 50 +-
pdb2pka/ligandclean/testcomplexes/acetacid3.mol2 | 108 +-
pdb2pka/ligandclean/testcomplexes/carvedilol.mol2 | 250 +-
pdb2pka/ligandclean/testcomplexes/lig1b_h.mol2 | 306 +-
pdb2pka/ligandclean/trial_templates.py | 92 +-
pdb2pka/pKaIO_compat.py | 1916 +-
pdb2pka/pKa_base.py | 316 +-
pdb2pka/pKa_utility_functions_compat.py | 452 +-
pdb2pka/pMC_mult.cpp | 794 +-
pdb2pka/pMC_mult.h | 128 +-
pdb2pka/pMC_mult.i | 32 +-
pdb2pka/pMC_mult.py | 458 +-
pdb2pka/pMC_mult_wrap.cpp | 21576 +-
pdb2pka/pka_help.py | 269 +-
pdb2pka/pka_old.py | 1430 +-
pdb2pka/pka_routines.py | 4996 +-
pdb2pka/prepare_pKa_ligand.py | 502 +-
pdb2pka/substruct/Algorithms.cpp | 642 +-
pdb2pka/substruct/__init__.py | 2 +-
pdb2pka/substruct/clique/COPYING | 962 +-
pdb2pka/substruct/clique/README | 62 +-
pdb2pka/substruct/clique/bk.h | 346 +-
pdb2pka/substruct/clique/clique.h | 50 +-
pdb2pka/substruct/clique/set.h | 106 +-
pdb2pka/substruct/clique/util.h | 30 +-
pdb2pqr.py.in | 128 +-
pdb2pqr.spec | 110 +-
pka.py | 962 +-
propka30/Source/__init__.py | 82 +-
propka30/Source/bonds.py | 954 +-
propka30/Source/calculator.py | 1038 +-
propka30/Source/chain.py | 816 +-
propka30/Source/compare.py | 632 +-
propka30/Source/corresponding_atoms.py | 432 +-
propka30/Source/coupled_residues.py | 728 +-
propka30/Source/debug.py | 352 +-
propka30/Source/determinant.py | 116 +-
propka30/Source/determinants.py | 638 +-
propka30/Source/ions.list | 38 +-
propka30/Source/iterative.py | 836 +-
propka30/Source/lib.py | 1636 +-
propka30/Source/ligand.py | 1066 +-
propka30/Source/mutate.py | 2620 +-
propka30/Source/output.py | 1020 +-
propka30/Source/parameters.py | 3216 +-
propka30/Source/parameters_new.py | 772 +-
propka30/Source/parameters_std.py | 760 +-
propka30/Source/pdb.py | 1152 +-
propka30/Source/protein.py | 1988 +-
propka30/Source/protein_bonds.dat | 1134 +-
propka30/Source/protonate.py | 1014 +-
propka30/Source/protonator.py | 1506 +-
propka30/Source/residue.py | 1748 +-
propka30/Source/rotate.py | 846 +-
propka30/Source/vector_algebra.py | 782 +-
propka30/Source/version.py | 2882 +-
propka30/compare.py | 392 +-
propka30/experiment.py | 704 +-
propka30/propka.py | 136 +-
propka30/propka_det.py | 156 +-
propka30/propka_gui.py | 170 +-
propka30/propka_mut.py | 174 +-
propka30/propka_pdb.py | 130 +-
querystatus.py | 1290 +-
scons/scons-time.py | 3088 +-
scons/scons.py | 410 +-
scons/sconsign.py | 1028 +-
site_scons/defaults.py | 2 +-
site_scons/test_tools.py | 2 +-
src/aa.py | 1754 +-
src/aconf.py.in | 166 +-
src/definitions.py | 836 +-
src/forcefield.py | 1834 +-
src/hydrogens.py | 5986 +-
src/inputgen.py | 864 +-
src/na.py | 632 +-
src/pdb.py | 4728 +-
src/protein.py | 724 +-
src/psize.py | 846 +-
src/quatfit.py | 904 +-
src/routines.py | 3728 +-
src/server.py | 944 +-
src/server.py.in | 942 +-
src/structures.py | 1726 +-
src/topology.py | 786 +-
src/utilities.py | 1066 +-
tests/adv-test/LIG_1HPX.mol2 | 376 +-
tests/adv-test/test-output-correct.pqr | 6496 +-
tests/adv-test/test-output-correct.propka | 592 +-
tests/complete-test/1A1P.pdb | 9298 +-
tests/complete-test/1AFS.pdb | 11902 +-
tests/complete-test/1HPX.pdb | 4078 +-
tests/complete-test/AMBER.names | 216 +-
tests/complete-test/LIG_1HPX.mol2 | 376 +-
.../test-output-1AFS-drop-water-correct.pqr | 21018 +-
tests/local-test/1AFS.pdb | 11902 +-
tests/local-test/test-output-correct.pqr | 21356 +-
tests/pdb2pka-test/1a1p/1a1p.pdb | 418 +-
.../titration_curves/ARG_A_11.csv | 402 +-
.../titration_curves/ASP_A_6.csv | 402 +-
.../titration_curves/CTR_A_13.csv | 402 +-
.../titration_curves/HIS_A_10.csv | 402 +-
.../titration_curves/HIS_A_9.csv | 402 +-
.../titration_curves/NTR_A_1.csv | 402 +-
tests/pdb2pka-test/1a1p/test-output-correct.pqr | 464 +-
tests/pdb2pka-test/1etm/1etm.pdb | 2012 +-
.../titration_curves/CTR_A_17.csv | 402 +-
.../titration_curves/GLU_A_7.csv | 402 +-
.../titration_curves/NTR_A_6.csv | 402 +-
tests/pdb2pka-test/1etm/test-output-correct.pqr | 438 +-
tests/pdb2pka-test/1yzm/1yzm.pdb | 750 +
.../titration_curves/ARG_A_471.csv | 201 +
.../titration_curves/ARG_A_478.csv | 201 +
.../titration_curves/ARG_A_483.csv | 201 +
.../titration_curves/ARG_A_490.csv | 201 +
.../titration_curves/ASP_A_480.csv | 201 +
.../titration_curves/ASP_A_494.csv | 201 +
.../titration_curves/ASP_A_497.csv | 201 +
.../titration_curves/CTR_A_501.csv | 201 +
.../titration_curves/GLU_A_481.csv | 201 +
.../titration_curves/GLU_A_487.csv | 201 +
.../titration_curves/GLU_A_495.csv | 201 +
.../titration_curves/HIS_A_464.csv | 201 +
.../titration_curves/LYS_A_474.csv | 201 +
.../titration_curves/NTR_A_456.csv | 201 +
.../titration_curves/TYR_A_496.csv | 201 +
tests/pdb2pka-test/1yzm/test-output-correct.pqr | 1081 +
tests/pdb2pka-test/2gus/2gus.pdb | 771 +
.../titration_curves/ARG_A_31.csv | 201 +
.../titration_curves/ARG_A_43.csv | 201 +
.../titration_curves/ARG_A_47.csv | 201 +
.../titration_curves/ASP_A_21.csv | 201 +
.../titration_curves/ASP_A_26.csv | 201 +
.../titration_curves/ASP_A_33.csv | 201 +
.../titration_curves/ASP_A_39.csv | 201 +
.../titration_curves/ASP_A_40.csv | 201 +
.../titration_curves/ASP_A_49.csv | 201 +
.../titration_curves/CTR_A_54.csv | 201 +
.../titration_curves/LYS_A_19.csv | 201 +
.../titration_curves/LYS_A_38.csv | 201 +
.../titration_curves/LYS_A_54.csv | 201 +
.../titration_curves/NTR_A_13.csv | 201 +
tests/pdb2pka-test/2gus/test-output-correct.pqr | 786 +
tests/pdb2pka-test/2m0w/2m0w.pdb | 13586 +-
.../titration_curves/ASP_A_1.csv | 402 +-
.../titration_curves/CTR_A_23.csv | 402 +-
.../titration_curves/LYS_A_23.csv | 402 +-
.../titration_curves/NTR_A_1.csv | 402 +-
.../titration_curves/TYR_A_11.csv | 402 +-
tests/pdb2pka-test/2m0w/test-output-correct.pqr | 680 +-
tests/pdb2pka-test/2m8f/2m8f.pdb | 7087 -
.../titration_curves/ASP_A_17.csv | 201 -
.../titration_curves/ASP_A_24.csv | 201 -
.../titration_curves/ASP_A_9.csv | 201 -
.../titration_curves/CTR_A_24.csv | 201 -
.../titration_curves/HIS_A_19.csv | 201 -
.../titration_curves/NTR_A_1.csv | 201 -
.../titration_curves/TYR_A_15.csv | 201 -
tests/pdb2pka-test/2m8f/test-output-correct.pqr | 359 -
tests/pdb2pka-test/4g3o/4g3o.pdb | 1325 +
.../titration_curves/ARG_A_446.csv | 201 +
.../titration_curves/ARG_A_484.csv | 201 +
.../titration_curves/ARG_A_497.csv | 201 +
.../titration_curves/ASP_A_479.csv | 201 +
.../titration_curves/ASP_A_491.csv | 201 +
.../titration_curves/CTR_A_498.csv | 201 +
.../titration_curves/GLU_A_449.csv | 201 +
.../titration_curves/GLU_A_466.csv | 201 +
.../titration_curves/GLU_A_487.csv | 201 +
.../titration_curves/GLU_A_495.csv | 201 +
.../titration_curves/HIS_A_462.csv | 201 +
.../titration_curves/HIS_A_474.csv | 201 +
.../titration_curves/NTR_A_446.csv | 201 +
.../titration_curves/TYR_A_452.csv | 201 +
.../titration_curves/TYR_A_473.csv | 201 +
tests/pdb2pka-test/4g3o/test-output-correct.pqr | 1066 +
tests/pdb2pka-test/SConscript | 48 +-
tests/test-long/lst | 490 +-
tests/test-webserver/lst | 490 +-
tests/test-webserver/test.sh.in | 16 +-
tests/test-webserver/web_server_tester.py | 286 +-
tests/test/test-output-correct.pqr | 21356 +-
tools/fixpqr.c | 152 +-
visualize.py | 286 +-
visualize2.py | 192 +-
374 files changed, 422951 insertions(+), 417122 deletions(-)
create mode 100644 examples/graphcut/run-graphcut.sh
create mode 100644 tests/pdb2pka-test/1yzm/1yzm.pdb
create mode 100644 tests/pdb2pka-test/1yzm/pdb2pka-output-correct/titration_curves/ARG_A_471.csv
create mode 100644 tests/pdb2pka-test/1yzm/pdb2pka-output-correct/titration_curves/ARG_A_478.csv
create mode 100644 tests/pdb2pka-test/1yzm/pdb2pka-output-correct/titration_curves/ARG_A_483.csv
create mode 100644 tests/pdb2pka-test/1yzm/pdb2pka-output-correct/titration_curves/ARG_A_490.csv
create mode 100644 tests/pdb2pka-test/1yzm/pdb2pka-output-correct/titration_curves/ASP_A_480.csv
create mode 100644 tests/pdb2pka-test/1yzm/pdb2pka-output-correct/titration_curves/ASP_A_494.csv
create mode 100644 tests/pdb2pka-test/1yzm/pdb2pka-output-correct/titration_curves/ASP_A_497.csv
create mode 100644 tests/pdb2pka-test/1yzm/pdb2pka-output-correct/titration_curves/CTR_A_501.csv
create mode 100644 tests/pdb2pka-test/1yzm/pdb2pka-output-correct/titration_curves/GLU_A_481.csv
create mode 100644 tests/pdb2pka-test/1yzm/pdb2pka-output-correct/titration_curves/GLU_A_487.csv
create mode 100644 tests/pdb2pka-test/1yzm/pdb2pka-output-correct/titration_curves/GLU_A_495.csv
create mode 100644 tests/pdb2pka-test/1yzm/pdb2pka-output-correct/titration_curves/HIS_A_464.csv
create mode 100644 tests/pdb2pka-test/1yzm/pdb2pka-output-correct/titration_curves/LYS_A_474.csv
create mode 100644 tests/pdb2pka-test/1yzm/pdb2pka-output-correct/titration_curves/NTR_A_456.csv
create mode 100644 tests/pdb2pka-test/1yzm/pdb2pka-output-correct/titration_curves/TYR_A_496.csv
create mode 100644 tests/pdb2pka-test/1yzm/test-output-correct.pqr
create mode 100644 tests/pdb2pka-test/2gus/2gus.pdb
create mode 100644 tests/pdb2pka-test/2gus/pdb2pka-output-correct/titration_curves/ARG_A_31.csv
create mode 100644 tests/pdb2pka-test/2gus/pdb2pka-output-correct/titration_curves/ARG_A_43.csv
create mode 100644 tests/pdb2pka-test/2gus/pdb2pka-output-correct/titration_curves/ARG_A_47.csv
create mode 100644 tests/pdb2pka-test/2gus/pdb2pka-output-correct/titration_curves/ASP_A_21.csv
create mode 100644 tests/pdb2pka-test/2gus/pdb2pka-output-correct/titration_curves/ASP_A_26.csv
create mode 100644 tests/pdb2pka-test/2gus/pdb2pka-output-correct/titration_curves/ASP_A_33.csv
create mode 100644 tests/pdb2pka-test/2gus/pdb2pka-output-correct/titration_curves/ASP_A_39.csv
create mode 100644 tests/pdb2pka-test/2gus/pdb2pka-output-correct/titration_curves/ASP_A_40.csv
create mode 100644 tests/pdb2pka-test/2gus/pdb2pka-output-correct/titration_curves/ASP_A_49.csv
create mode 100644 tests/pdb2pka-test/2gus/pdb2pka-output-correct/titration_curves/CTR_A_54.csv
create mode 100644 tests/pdb2pka-test/2gus/pdb2pka-output-correct/titration_curves/LYS_A_19.csv
create mode 100644 tests/pdb2pka-test/2gus/pdb2pka-output-correct/titration_curves/LYS_A_38.csv
create mode 100644 tests/pdb2pka-test/2gus/pdb2pka-output-correct/titration_curves/LYS_A_54.csv
create mode 100644 tests/pdb2pka-test/2gus/pdb2pka-output-correct/titration_curves/NTR_A_13.csv
create mode 100644 tests/pdb2pka-test/2gus/test-output-correct.pqr
delete mode 100644 tests/pdb2pka-test/2m8f/2m8f.pdb
delete mode 100644 tests/pdb2pka-test/2m8f/pdb2pka-output-correct/titration_curves/ASP_A_17.csv
delete mode 100644 tests/pdb2pka-test/2m8f/pdb2pka-output-correct/titration_curves/ASP_A_24.csv
delete mode 100644 tests/pdb2pka-test/2m8f/pdb2pka-output-correct/titration_curves/ASP_A_9.csv
delete mode 100644 tests/pdb2pka-test/2m8f/pdb2pka-output-correct/titration_curves/CTR_A_24.csv
delete mode 100644 tests/pdb2pka-test/2m8f/pdb2pka-output-correct/titration_curves/HIS_A_19.csv
delete mode 100644 tests/pdb2pka-test/2m8f/pdb2pka-output-correct/titration_curves/NTR_A_1.csv
delete mode 100644 tests/pdb2pka-test/2m8f/pdb2pka-output-correct/titration_curves/TYR_A_15.csv
delete mode 100644 tests/pdb2pka-test/2m8f/test-output-correct.pqr
create mode 100644 tests/pdb2pka-test/4g3o/4g3o.pdb
create mode 100644 tests/pdb2pka-test/4g3o/pdb2pka-output-correct/titration_curves/ARG_A_446.csv
create mode 100644 tests/pdb2pka-test/4g3o/pdb2pka-output-correct/titration_curves/ARG_A_484.csv
create mode 100644 tests/pdb2pka-test/4g3o/pdb2pka-output-correct/titration_curves/ARG_A_497.csv
create mode 100644 tests/pdb2pka-test/4g3o/pdb2pka-output-correct/titration_curves/ASP_A_479.csv
create mode 100644 tests/pdb2pka-test/4g3o/pdb2pka-output-correct/titration_curves/ASP_A_491.csv
create mode 100644 tests/pdb2pka-test/4g3o/pdb2pka-output-correct/titration_curves/CTR_A_498.csv
create mode 100644 tests/pdb2pka-test/4g3o/pdb2pka-output-correct/titration_curves/GLU_A_449.csv
create mode 100644 tests/pdb2pka-test/4g3o/pdb2pka-output-correct/titration_curves/GLU_A_466.csv
create mode 100644 tests/pdb2pka-test/4g3o/pdb2pka-output-correct/titration_curves/GLU_A_487.csv
create mode 100644 tests/pdb2pka-test/4g3o/pdb2pka-output-correct/titration_curves/GLU_A_495.csv
create mode 100644 tests/pdb2pka-test/4g3o/pdb2pka-output-correct/titration_curves/HIS_A_462.csv
create mode 100644 tests/pdb2pka-test/4g3o/pdb2pka-output-correct/titration_curves/HIS_A_474.csv
create mode 100644 tests/pdb2pka-test/4g3o/pdb2pka-output-correct/titration_curves/NTR_A_446.csv
create mode 100644 tests/pdb2pka-test/4g3o/pdb2pka-output-correct/titration_curves/TYR_A_452.csv
create mode 100644 tests/pdb2pka-test/4g3o/pdb2pka-output-correct/titration_curves/TYR_A_473.csv
create mode 100644 tests/pdb2pka-test/4g3o/test-output-correct.pqr
--
Alioth's /usr/local/bin/git-commit-notice on /srv/git.debian.org/git/debian-med/pdb2pqr.git
More information about the debian-med-commit
mailing list