Published Histories | rakesh4osdd | imported: latest_docking_test
Import history

Galaxy History ' imported: latest_docking_test'


DatasetAnnotation
1: getSupportedDBs
45 lines
format: text, database: ?
edam
embl
emblalign
emblcds
emblcon
emblconexp
2: 4M2U.pdb
6,882 lines
format: txt, database: ?
Info:
uploaded txt file
HEADER LYASE/LYASE INHIBITOR 05-AUG-13 4M2U
TITLE CARBONIC ANHYDRASE II IN COMPLEX WITH DORZOLAMIDE
CAVEAT 4M2U ATOM "H" OF LEU A 198 CONFORMATION C HAS ZERO B FACTOR IN
CAVEAT 2 4M2U DEPOSITED MODEL
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2;
4: dor.sdf
126 lines
format: txt, database: ?
Info:
uploaded txt file
4M2U_ETS_A_302
RCSB PDB11091304243D
Coordinates from PDB:4M2U:A:302 Model:1 without hydrogens
19 20 0 0 0 0 999 V2000
15.1710 3.5450 15.6720 S 0 0 0 0 0 0 0 0 0 0 0 0
16.1270 2.1520 15.8960 C 0 0 0 0 0 0 0 0 0 0 0 0
5: output_link
20.0 KB
An error occurred running this job:
in sdf,,
sh: vega: command not found
sh: vega: command not found
readline() on closed filehandle FH at /home/galaxy/galaxy-dist/tools/Docking/anshu_test.pl line 41.
Use of uninitialized value $gridcenterX in concatenation (.) or string at /home/galaxy/ga
6: 1DG5.pdb
1,910 lines
format: txt, database: ?
Info:
uploaded txt file
HEADER OXIDOREDUCTASE 23-NOV-99 1DG5
TITLE DIHYDROFOLATE REDUCTASE OF MYCOBACTERIUM TUBERCULOSIS COMPLEXED WITH
TITLE 2 NADPH AND TRIMETHOPRIM
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE;
COMPND 3 CHAIN: A;
7: ligand.pdb
134 lines
format: txt, database: ?
Info:
uploaded txt file
HETATM 1 C1 TOP A 201 5.983 25.793 10.188 1.00 15.23 C
HETATM 2 N2 TOP A 201 6.240 26.276 8.952 1.00 14.14 N
HETATM 3 C3 TOP A 201 6.557 25.429 7.993 1.00 13.17 C
HETATM 4 N4 TOP A 201 6.803 25.909 6.738 1.00 11.39 N
HETATM 5 N5 TOP A 201 6.680 24.074 8.050 1.00 14.17 N
HETATM 6 C6 TOP A 201 6.437 23.541 9.250 1.00 14.33 C
8: output_link
20.0 KB
An error occurred running this job:
,,
sh: vega: command not found
Sorry:
empty file: ligand-laila-normal.pdb

sh: vega: command not found
readline() on closed filehandle FH at /home/galaxy/galaxy-dist/tools/Docking/anshu_test.pl line 41.
Use of uninitialized value $gridcenterX in conca
9: output_link
20.0 KB
An error occurred running this job:
,,
/home/galaxy/bin/Vega/Bin/Linux_x64/vega: error while loading shared libraries: libhdrive.so: cannot open shared object file: No such file or directory
Sorry:
empty file: ligand-laila-normal.pdb

/home/galaxy/bin/Vega/Bin/Linux_x64/vega: error whil
17: output_link
1.4 MB
format: html, database: ?
Info:
ATOM 756 CA TYR A 100 4.101 -6.343 0.682 1.00 0.00 0.191 C
4.101,-6.343,0.682
HTML file
18: output_link
2.6 MB
format: html, database: ?
Info:
in sdfATOM 217 CA GLY A 25 14.897 3.865 12.639 1.00 0.00 0.225 C
14.897,3.865,12.639
HTML file
19: 3D Visualization on data 7
1007 bytes
format: html, database: ?
HTML file
20: 3D Visualization on data 6
1007 bytes
format: html, database: ?
HTML file
21: 3D Visualization on data 4
1007 bytes
format: html, database: ?
HTML file