Changeset bad406
- Timestamp:
- Aug 18, 2008, 11:40:06 AM (17 years ago)
- Children:
- 2b19bb
- Parents:
- 8e2a42
- Location:
- util
- Files:
-
- 2 added
- 1 edited
- 11 moved
-
configure.ac (modified) (1 diff)
-
src/CalculateDensity.sh.in (moved) (moved from util/src/CalculateDensity.sh ) (1 diff)
-
src/CalculateMass.sh.in (moved) (moved from util/src/CalculateMass.sh ) (1 diff)
-
src/CreateFromXYZ.sh.in (added)
-
src/average_result.sh.in (moved) (moved from util/src/average_result.sh ) (1 diff)
-
src/config2xyz.sh.in (moved) (moved from util/src/config2xyz.sh ) (1 diff)
-
src/convert2old.sh.in (moved) (moved from util/src/convert2old.sh ) (1 diff)
-
src/convertpdb.sh.in (moved) (moved from util/src/convertpdb.sh ) (1 diff)
-
src/dynamicANOVA.sh.in (added)
-
src/gather_all_results.sh.in (moved) (moved from util/src/gather_all_results.sh ) (1 diff)
-
src/gather_averaged_results.sh.in (moved) (moved from util/src/gather_averaged_results.sh ) (1 diff)
-
src/gather_result.sh.in (moved) (moved from util/src/gather_result.sh ) (1 diff)
-
src/grep_shielding.sh.in (moved) (moved from util/src/grep_shielding.sh ) (1 diff)
-
src/meas2pdb.sh.in (moved) (moved from util/src/meas2pdb.sh ) (1 diff)
Legend:
- Unmodified
- Added
- Removed
-
util/configure.ac
r8e2a42 rbad406 50 50 AC_CHECK_FUNCS([pow sqrt strchr strrchr strstr]) 51 51 AC_CONFIG_FILES([Makefile doc/Makefile src/Makefile]) 52 AC_CONFIG_FILES([ src/AdaptiveANOVA.sh src/CreateFromXYZ.sh src/dynamicANOVA.sh src/Nanotubes.pl src/ReSequenceDX.pl src/BOSSMatcher.pl src/SortByRings.sh]) 52 AC_CONFIG_FILES([src/Nanotubes.pl src/ReSequenceDX.pl src/BOSSMatcher.pl]) 53 AC_CONFIG_FILES([src/average_result.sh src/CalculateDensity.sh src/CalculateMass.sh src/config2xyz.sh src/convert2old.sh src/convertpdb.sh src/gather_all_results.sh src/gather_averaged_results.sh src/gather_result.sh src/grep_shielding.sh src/meas2pdb.sh src/AdaptiveANOVA.sh src/CreateFromXYZ.sh src/dynamicANOVA.sh src/SortByRings.sh]) 53 54 AC_OUTPUT 55 -
util/src/CalculateDensity.sh.in
r8e2a42 rbad406 1 #! /bin/sh1 #!@SHELL@ 2 2 # 3 3 # calculates the density of a molecule contained in a espack config file -
util/src/CalculateMass.sh.in
r8e2a42 rbad406 1 #! /bin/sh1 #!@SHELL@ 2 2 # 3 3 # calculates mass of a molecule in a XYZ file -
util/src/average_result.sh.in
r8e2a42 rbad406 1 #! /bin/sh1 #!@SHELL@ 2 2 # 3 3 # Averages over all ion types -
util/src/config2xyz.sh.in
r8e2a42 rbad406 1 #! /bin/sh1 #!@SHELL@ 2 2 # 3 3 # extracts a .xyz-file from a pcp config file -
util/src/convert2old.sh.in
r8e2a42 rbad406 1 #! /bin/sh1 #!@SHELL@ 2 2 # 3 3 # converts config file back to old format, used by pcpopt -
util/src/convertpdb.sh.in
r8e2a42 rbad406 1 #!@SHELL@ 2 # 3 # converts pdb to xyz via babel 4 1 5 if [ ! -z "$1" ]; then 2 6 babel -ipdb $1.pdb -oxyz $1.xyz -
util/src/gather_all_results.sh.in
r8e2a42 rbad406 1 #! /bin/sh1 #!@SHELL@ 2 2 # 3 3 # uses gather_results with known files -
util/src/gather_averaged_results.sh.in
r8e2a42 rbad406 1 #! /bin/sh1 #!@SHELL@ 2 2 # 3 3 # uses gather_results with known files -
util/src/gather_result.sh.in
r8e2a42 rbad406 1 #! /bin/sh1 #!@SHELL@ 2 2 # 3 3 # Collects last lines from different ecut dirs into results${suf} for plotting -
util/src/grep_shielding.sh.in
r8e2a42 rbad406 1 #! /bin/sh1 #!@SHELL@ 2 2 # 3 3 # greps and reformats shielding values from multiple logs -
util/src/meas2pdb.sh.in
r8e2a42 rbad406 1 #! /bin/sh1 #!@SHELL@ 2 2 # 3 3 # extracts a .pdb-file from a pcp config file and includes shielding measurements from .csv files
Note:
See TracChangeset
for help on using the changeset viewer.
