Ref/molstr/mol

Ref/molstr

merge

; merge mol2 into this (mol2)

 void merge (string)

merge

; merge mol2 into mol1 (mol1, mol2)

 static void merge (string,string)

erase

; erase selected atoms

 void erase()

shift

; translate selection (dv)

 void shift(vector)

shift

; move selection of mol1 (mol1, dv)

 static void shift(string,vector)

rotate

; rotate selection (quat, vcen)

 void rotate(vector,vector)

rotate

; rotate selection of mol1 (mol1, quat, vcen)

 static void rotate(string,vector,vector)

bond

; make covalent bond between two atoms (in this mol)

 void bond(any, any)

lsqfit

; lsq fitting

 real lsqfit(object)

calcRMSD

 real calcRMSD(object)

popSel

void popSel ()

popSel

 static void popSel (string)

pushSel

 void pushSel ()

pushSel

 static void pushSel (string)

select

 static void select (string)

select

 void select ()

deselect

 static void deselect (string)

deselect

 void deselect ()

selectChain

 static void selectChain (string,string)

selectChain

 void selectChain (string)

selectResid

 static void selectResid (string,string,integer,integer)

selectResid

 void selectResid (string,integer,integer)

selectResidAppend

 static void selectResidAppend (string,string,integer,integer)

selectResidAppend

 void selectResidAppend (string,integer,integer)

selectResidRemove

 static void selectResidRemove (string,string,integer,integer)

selectResidRemove

 void selectResidRemove (string,integer,integer)

select

 static void select (string,select)

select

 void select (select)

getChainNames

 array getChainNames ()

getStartResid

 integer getStartResid (string)

getStartResid

 static integer getStartResid (string,string)

getEndResid

 integer getEndResid (string)

getEndResid

 static integer getEndResid (string,string)

getCenter

 vector getCenter ()

getCenter

 static vector getCenter (string)

setProp

; set property to the selected residues (molname, propname, propvalue)

 void setProp (string, string)

setProp

 static void setProp (string, string, string)

forEachResid

; residue iteration (affected by current selection)

 void forEachResid (any)

forEachAtom

; atom iteration (affected by current selection)

 void forEachAtom (any)

getResids

; get a list of selected residues

 any getResids()

getAtoms

; get a list of selected atoms

 any getAtoms ()

distMin

; get the minimum distance

 real distMin(vector)

showAtomLabel

; show simple atom labels for selected atoms

 void showAtomLabel(select, string)