Torsion environment

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Conversion Table for DOCK6 Torsion Environments


case A C.3 tetetete
Case B C.2 - trtrtr pi
Case C C.1 - didi pi pi
Case D C.ar - C.2 params
Case E C.cat guanadinium - C.3 params with +1 formal charge
Case F N.3 - te^2 tetete
Case G N.2 - tr^2 trtr pi
Case H N.1 - di^2 di pi pi
Case I N.ar - N.2 params
Case J N.am - N.2 params
Case K N.pl3 - trigonal planar, used sp2 params
Case L N.4 - using na+ from GASPARM.dat
Case M O.3 - te^2 te^2 tete
Case N O.2 - tr^2 trtr pi
Case O O.co2 - O.2 with -0.5 formal charge
Case P S.3 - s3 from GASPARM.DAT
Case Q S.2 - s2 from GASPARM.DAT
Case R S.O - s.o copied s2 params
Case S S.O2 - s.o2 copied s2
Case T P.3 - p from GASPARM.DAT
Case U F - s^2 p^2 p^2 p^2
Case V Cl - s^2 p^2 p^2 p^2
Case W Br - s^2 p^2 p^2 p^2
Case X I s^2 - p^2 p^2 p^2
Case Y Du - Hydrogen parameters
Case Z H