Lines Matching refs:group
102 # bug fix: Hall name translator can incorrectly assign matrix for F m -3 m group
403 # bug fix: quaternion difference off by one group
820 # formalCharge fracX fracY fracZ group group1
860 # yes n yes group 3-letter residue code
862 # yes yes groupID group ID number: A unique ID for each amino acid or nucleic acid residue in a …
863 # yes G yes groupindex overall group index (Jmol 11.5.35)
864 # yes U yes identify for a PDB/mmCIF file, same as [%[group]]%[sequence]:%[chain] %%%[altloc]/%[…
871 # yes f yes phi protein group PHI angle for atom\'s residue (Jmol 11.3.41)
874 # yes p yes psi protein group PSI angle for the atom\'s residue (Jmol 11.3.41)
898 # g yes group index in chain
943 # %[group] %n
1055 # code: better treatment of user-defined space group
1092 # bug fix: calculate hbonds can fail when group does not have O or OXT atoms
1094 # new feature: label %G -- group index, like atom index, 0-based for entire collection
1226 # where n is an optional pointer to a specific group (starting with 1)
1844 # code: more efficient return of point group information and calculation
1969 # bug fix: D3h point group
1975 # new feature: no saving of point group -- just recalculated each time
2161 # new feature: show group(s)
2537 # -- bypasses inter-group bonding check when creating polymers
2598 # [XXX] a specific group ID
2599 # ![XXX] not a specific group ID (e.g. ![HOH])
3588 # new feature: show spacegroup "X,Y,Z;-X,Y,Z;..." finds space group associated with specific operat…
4049 # bug fix: select 0 selects all instead of PDB group 0
4673 # along with an optional bracketed sync group identifier -- generally a random