Let's suppose we have the following situation:
I have an antibody structure generated by the 'antibody.linuxgccrelease' (i.e. no H3 optimization yet, just grafting)
Is it possible to score it in a similar fashion as the 'antibody_H3.linuxgccrelease' application does? I mean to score it without, H3 optimization whatsoever?
I saw that in the scoring file of a H3 optimization run we can find different terms than in a normal Talaris2014 relaxing/scoring:
CDR_SASA CDR_SASA_HP CDR_charge H1_RMS H2_RMS H3_RMS L1_RMS L2_RMS L3_RMS VL_VH_distance .... etc.
Any help will be greatly appreciated.