Using VFLP

The usage of VFLP is the same as the usage of VirtualFlow in general, which is described here.

All specific options/features which one can activate/configure in VFLP are described in the control file tools/templates/all.ctrl, where the values for all of them can be specified. These options/features include:

  • Neutralization

  • Desalting

  • Tautomerization

  • Protonation

  • 3D Conformer Generation

  • Target Format Generation

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