Stage vsw_6-DOCK_SP_1 initializing...

Running stage: vsw_6-DOCK_SP_1
SCHRODINGER: C:\Program Files\Schrodinger2023-4
PYTHONPATH: None
Job ID: LAPTOP-ML27RQMS-0-6788ab51
Time: Thu Jan 16 11:46:45 2025
Stage started successfully

Python version: 83132
Will NOT recombine or retitle input ligands
There will be 1 subjobs.
Will identify ligands based on unique field: s_vsw_compound_code
Counting numbers of structures and compounds in input ligands...

Number of input compounds: 18
Number of input structures: 18

Input number of poses for each subjob:
{1: 18}

NOTE: 1 jobs will be launched, as that's the number of input files. (The option to 'use input files directly for subjobs' was used.)

Setting up Glide jobs...
Running Glide jobs...

Running subjobs on hosts:
  Not available yet
Number of jobs:       1
Max retries per job:  2
Max allowed failures: unlimited
Verbosity:            normal

Starting JobDJ...

WARNING: Can't use smart distribution, as host list is empty
Keep one job on driver host: False
Smart license checking: True
JobDJ columns:
  C: Number of completed subjobs
  A: Number of active subjobs (e.g., submitted, running)
  W: Number of waiting/pending subjobs

C A W | Activity  JobId  JobName  JobHost
- - - | --------- -----------------------
Waiting for available processors to use...
0 1 0 | launched  LAPTOP-ML27RQMS-0-6788ab5c vsw_6-DOCK_SP_1-001 localhost [LAPTOP-ML27RQMS]
1 0 0 | finished  LAPTOP-ML27RQMS-0-6788ab5c vsw_6-DOCK_SP_1-001 localhost [LAPTOP-ML27RQMS]

All jobs have completed.

1 of 1 job(s) succeeded; 0 job(s) failed.

  Keeping 18 of 18 compounds.
  Best by compound: False
  Calculating CPU time and combining log files...
    have not calculated CPU time or generated combined logfile
Merging the Glide output files...
"C:\Program Files\Schrodinger2023-4\utilities\glide_merge" -f vsw_6-DOCK_SP_1_files_to_merge.txt -m 18 -id_prop s_vsw_compound_code -o vsw_6-SP_OUT_1_lib.maegz
For progress, see: F:\human metapeunomia virus projects\Database\4 Drugs\5 phosphoprotein\vsw_6\glide_merge.log
           Last 20 lines of F:\human metapeunomia virus projects\Database\4 Drugs\5 phosphoprotein\vsw_6\glide_merge.log:
******************************************************************************
                                 Glide Merge                                  
------------------------------------------------------------------------------
REPORT OF BEST 12 POSES
The sorted ligand structures were written to the file:
    vsw_6-SP_OUT_1_lib.maegz
Final rankings based on original docking score.
0 poses were rejected by the energy filters,
    Coul+vdw Energy    <=     0.0
    Hbond Interaction  <=     0.0
    Metal Interaction  <=    10.0
    GlideScore         <=   100.0
    Docking Score      <=   100.0
(If any of the above properties is not defined for a given pose,
 the corresponding filter is not applied to that pose.)
[running at reduced cpu priority]
******************************************************************************

glide_merge completed suffessfully
Reading merged structures...
WARNING: Number of Glide output compounds is less than the requested number of compounds to keep
   Number of compounds expected to keep: 18
   Number of compounds kept: 12
   Number of structures kept: 12
Generating csv report file...
Properties CSV file: vsw_6-SP_OUT_1.csv

Combined logfile: vsw_6-DOCK_SP_1_combined.log
Cleaning up...
  Archiving vsw_6-DOCK_SP_1-001.log...

STAGE COMPLETED. Elapsed time: 23 seconds

    Output #1 (vsw_6-SP_OUT_1) [structures(12)]:
      vsw_6-SP_OUT_1_lib.maegz
Moving vsw_6-SP_OUT_1_lib.maegz to F:\human metapeunomia virus projects\Database\4 Drugs\5 phosphoprotein\vsw_6\vsw_6-SP_OUT_1_lib.maegz
Done.
[running at reduced cpu priority]
