[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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