Stage vsw_6-LIPINSKI_FILTER initializing...

Running stage: vsw_6-LIPINSKI_FILTER
SCHRODINGER: C:\Program Files\Schrodinger2023-4
PYTHONPATH: None
Job ID: LAPTOP-ML27RQMS-0-6788aaf6
Time: Thu Jan 16 11:45:12 2025
Stage started successfully

Python version: 83132
Condition: "r_qp_mol_MW <= 500"
Condition: "r_qp_QPlogPo/w <= 5"
Condition: "r_qp_donorHB <= 5"
Condition: "r_qp_accptHB <= 10"
Running LigFilter 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-0-6788aafd vsw_6-LIPINSKI_FILTER-001 localhost [LAPTOP-ML27RQMS]
1 0 0 | finished  LAPTOP-ML27RQMS-0-6788aafd vsw_6-LIPINSKI_FILTER-001 localhost [LAPTOP-ML27RQMS]

All jobs have completed.

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

Checking subjob outputs...

LigFilter Summary: 645 of 1012 structures passed the filter

STAGE COMPLETED. Elapsed time: 9 seconds

    Output #1 (vsw_6-LIPFILTER_OUT) [structures(645)]:
      vsw_6-LIPFILTER_OUT-001.maegz
Moving vsw_6-LIPFILTER_OUT-001.maegz to F:\human metapeunomia virus projects\Database\4 Drugs\5 phosphoprotein\vsw_6\vsw_6-LIPFILTER_OUT-001.maegz
Done.
[running at reduced cpu priority]
