Skip to content

SAVEPOINTS is not a valid parameter #55

Description

@GuseynovAD

Hi all,

Running "examples/basic_example/sample_input.ini" fails. Error message "SAVEPOINTS is not a valid parameter", details below. Any way to save the pocket field-points?

Thanks in advance!
Akim


Installation:

  1. Ubuntu-20.04.6, anaconda-24.1.12: create new environment with python=2.7
  2. re-install pip: curl https://bootstrap.pypa.io/pip/2.7/get-pip.py -o get-pip.py; python2.7 get-pip.py --force-reinstall
  3. pip install povme

Full error message:
"Exception: SAVEPOINTS is not a valid parameter. Valid parameters are: set(['OUTPUTFILENAMEPREFIX', 'SEEDSPHERE', 'LOADSEEDPOINTSFILENAME', 'NUMFRAMES', 'MAXGROWITERATIONS', 'DEFINEPOCKETBYLIGAND', 'INCLUSIONSPHERE', 'INCLUSIONBOX', 'GRIDSPACING', 'SEEDBOX', 'NUMPROCESSORS', 'EXCLUSIONBOX', 'DISTANCECUTOFF', 'COMPRESSOUTPUT', 'PDBFILENAME', 'LOADINCLUSIONPOINTSFILENAME', 'CONVEXHULLEXCLUSION', 'EXCLUSIONSPHERE', 'INCLUSIONCYLINDER', 'CONTIGUOUSPOINTSCRITERIA'])"

Activity

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

      Milestone

      No milestone

      Relationships

      None yet

      Development

      No branches or pull requests

      Issue actions