Difference between revisions of "Torsion environment"

Latest revision as of 10:52, 13 December 2022

Torsion Representation	Atom Type	Atom Params
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

@@ Line 1: / Line 1: @@
 === <center> Conversion Table for DOCK6 Torsion Environments </center> ===
-<br>
 {| align="center" border="2" cellpadding="8" cellspacing="0" style="background:white; text-align:left; width:80%"
-|- style="background:white"
-! style="width:10%" | '''case A''' | C.3  || tetetete
+|-
+| '''Torsion Representation''' || '''Atom Type''' || '''Atom Params'''
+|-
+| '''case A''' || C.3  || tetetete
 |-
 | '''Case B''' || C.2 || trtrtr pi