Implement PLIF to be calculated for docked structures. This can be done with https://github.com/chemosim-lab/ProLIF.
Names of contacts should be standardized (separated by dots), e.g. HIS23.a.hbdonor.
Additionally similarity to a given PLIF can be calculated.
Implement PLIF to be calculated for docked structures. This can be done with https://github.com/chemosim-lab/ProLIF.
Names of contacts should be standardized (separated by dots), e.g. HIS23.a.hbdonor.
Additionally similarity to a given PLIF can be calculated.