[Dock-fans] make test
hannah pamela tan
hpdiamantetan at yahoo.com
Wed Jun 3 00:21:35 PDT 2009
Good day!
After getting a new version of the cygwin, i was able to finally install the DOCK 6.2 program.however, after testing the built executables using the command
cd test; make test
here is what showed up in the latter part of the processing, which ended up in an error..
==============================================================
diffing
secondary6_secondary_scored.mol2.save with secondary6_secondary_scored.m
ol2
PASSED
==============================================================
Processing dock6 test
secondary7
.../../../bin/dock6 -i
secondary7.dockin -o secondary7.dockout
.../dockdif -t 8
secondary7.dockout.save secondary7.dockout
diffing
secondary7.dockout.save with secondary7.dockout
possible
FAILURE: check secondary7.dockout.dif
==============================================================
diffing
secondary7_primary_conformers.mol2.save with secondary7_primary_conforme
rs.mol2
possible
FAILURE: check
secondary7_primary_conformers.mol2.dif
==============================================================
diffing
secondary7_secondary_conformers.mol2.save with secondary7_secondary_conf
ormers.mol2
possible
FAILURE: check
secondary7_secondary_conformers.mol2.dif
==============================================================
diffing
secondary7_primary_scored.mol2.save with secondary7_primary_scored.mol2
possible
FAILURE: check
secondary7_primary_scored.mol2.dif
==============================================================
diffing
secondary7_secondary_scored.mol2.save with secondary7_secondary_scored.m
ol2
possible
FAILURE: check secondary7_secondary_scored.mol2.dif
==============================================================
make[2]: Leaving
directory `/cygdrive/c/dock6/install/test/primary_secondary_sco
re'
cd amber_score_181l
&& make test
make[2]: Entering
directory `/cygdrive/c/dock6/install/test/amber_score_181l'
.../../../bin/prepare_amber.pl
lig.mol2 181l.pdb
Coordinate and
parameter files for the Receptor 181l generated.
The AMBER score
tagged mol2 file lig.amber_score.mol2 generated.
Splitting the
multiple Ligand mol2 file into single mol2 files.
The single mol2 files
will have the prefix: lig
Generating coordinate
and parameter files with AM1-BCC charges.
This may be time
consuming.
Ligand lig.1 has
total charge 0
19211 [sig] mopac 29852
_cygtls::handle_exceptions: Error while dumping state
(probably corrupted
stack)
Error from
amberize_ligand; the name of the ligand is
@<TRIPOS>MOLECULE
examine amberize_ligand.1.out
Error from
amberize_ligand; examine amberize_ligand.1.out
make[2]: ***
[amberize] Error 3
make[2]: Leaving
directory `/cygdrive/c/dock6/install/test/amber_score_181l'
make[1]: *** [dock]
Error 2
make[1]: Leaving
directory `/cygdrive/c/dock6/install/test'
make: ***
[timed_test] Error 2
Hope u can help me with this again. Thank you for the suggestions before!
Hannah Tan
_____________________________________________
Smile! Jesus loves yah!
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