WARNING:rfd3.metrics.hbonds_hbplus_metrics:[rank: 0] Could not calculate hbond metrics: could not convert string to float: ''

[MrAndiZ]

Hi everyone,

I tried creating a backbone for my active site with a GLU residue (fixed sidechain atoms) and a TYR residue forming an H-bond to the GLU. I set select_hbond_donor and select_hbond_acceptor on the OH and OE1 atoms. Both residues are on the same chain.

I installed HBplus as described in the README and updated the HBPLUS_PATH. I always get the same error:
WARNING:rfd3.metrics.hbonds_hbplus_metrics:[rank: 0] Could not calculate hbond metrics: could not convert string to float: ''