External Packages
Last updated
Last updated
VirtualFlow 2.0 supports many docking programs working on CPUs and GPUs. For some of the docking programs, the executable binary programs (for x86 the architecture) are included in the VFVS 2.0 package, and thus don't need to to be installed (when x86 compatible compute nodes are used, which is normally the case). For other docking programs whose executable binary programs are not included in the VFVS 2.0 package, an executable program needs to be put into the directory /tools/bin. Currently, the docking programs that are supported by VirtualFlow 2.0 are listed below, with those require an external package highlighted in bold:
When self-compiled binaries should be used by VFVS 2.0, the pre-compiled binaries in the tools/bin folder need to be replaced by the new binaries.
VirtualFlow 2.0 supports various scoring functions which can be used to score and rank the compounds whose binding poses to the target have been docked by a docking program of interest. Currently, the following scoring functions that are supported by VirtualFlow 2.0 are listed below, with those require an external package highlighted in bold: