Torsion environment
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Revision as of 10:49, 13 December 2022 by BrockBoysan (talk | contribs)
Conversion Table for DOCK6 Torsion Environments
| style="width:10%" | 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 |
