Advertisement
Not a member of Pastebin yet?
Sign Up,
it unlocks many cool features!
- interacting_res = mol.interaction_sets[ligand_key].interacting_res
- for res in interacting_res:
- num = ''.join(res[:-1])
- for resis in mol.resis:
- if resis.GetNum() == int(num):
- if resis.GetAminoAcidProperty(0):
- fp['ACIDIC'] += 1
- elif resis.GetAminoAcidProperty(1):
- fp['ACYCLIC'] += 1
- elif resis.GetAminoAcidProperty(2):
- fp['ALIPHATIC'] += 1
- elif resis.GetAminoAcidProperty(3):
- fp['AROMATIC'] += 1
- elif resis.GetAminoAcidProperty(4):
- fp['BASIC'] += 1
- elif resis.GetAminoAcidProperty(5):
- fp['BURIED'] += 1
- elif resis.GetAminoAcidProperty(6):
- fp['CHARGED'] += 1
- elif resis.GetAminoAcidProperty(7):
- fp['CYCLIC'] += 1
- elif resis.GetAminoAcidProperty(8):
- fp['HYDROPHOBIC'] += 1
- elif resis.GetAminoAcidProperty(9):
- fp['LARGE'] += 1
- elif resis.GetAminoAcidProperty(10):
- fp['MEDIUM'] += 1
- elif resis.GetAminoAcidProperty(11):
- fp['NEGATIVE'] += 1
- elif resis.GetAminoAcidProperty(12):
- fp['NEUTRAL'] += 1
- elif resis.GetAminoAcidProperty(13):
- fp['POLAR'] += 1
- elif resis.GetAminoAcidProperty(14):
- fp['POSITIVE'] += 1
- elif resis.GetAminoAcidProperty(15):
- fp['SMALL'] += 1
- elif resis.GetAminoAcidProperty(16):
- fp['SURFACE'] += 1
Advertisement
Add Comment
Please, Sign In to add comment
Advertisement