Lines Matching refs:unit
109 # bug fix: CASTEP and AIMS readers now properly load unit cells using cell vectors
111 # bug fix: CASTEP reader not understanding unit specifier in .cell files
346 # bug fix: spacegroup reading when center of molecule is not in unit cell can cause bonding errors
400 # bug fix: mol2 reader not properly allowing override of CRYSIN unit cell record
848 # yes cell crystallographic unit cell
887 # yes unitXyz unit cell XYZ coordinates
888 # yes yes uX unit cell X coordinate normalized to [0,1)
889 # yes yes uY unit cell Y coordinate normalized to [0,1)
890 # yes yes uZ unit cell Z coordinate normalized to [0,1)
1014 # --applies {within(loadAtomDataTolerance,xyzcoord)}.vxyz = vibcoord, so to all unit cells
1025 # new feature: select ux|uy|uz < x.x -- selection based on unit coordinates
1032 # if multiple models are visible, then all these just return as through there were no unit cell.
1034 # new feature: {atomExpression}.uxyz, .ux, .uy, .uz -- unit cell coordinate
1041 # pack a unit cell using:
1083 # bug fix: Hall lattice operation (SHELX only) could place atoms in unexpected unit cell
1084 # bug fix: unitCell normalization error could miss some atoms in multi-unit cell visualizations
1297 # loads crystal structure and packs unit cell
2440 # bug fix: reading .mmol (biological unit) files such as
3484 # bug fix: setting perspective model resets unit cell on
5843 # point modulus for getting base unit cell equivalent position