Lines Matching refs:coordinates

151 # bug fix: GAMESS reader vibrations use wrong atom coordinates
454 # bug fix: load trajectory XXX.cif not applying fractional coordinates.
856 #	yes			yes		fracXyz	fractional XYZ coordinates
887 #				yes		unitXyz	unit cell XYZ coordinates
897 #	yes			yes		xyz	Cartesian XYZ coordinates
991 # new feature: load XYZ ...  loads just the XYZ coordinates, in sequence, based on selected atoms.
1022 …within(-0.1, {1/2 1/2 1/2}) -- negative distance within selects atoms based on unitcell coordinates
1023 … atomno=3) -- negative distance within selects atoms based on unitcell coordinates of all atoms in…
1024 …-0.1, true, atomno=3) -- negative distance within model selects atoms based on unitcell coordinates
1025 # new feature: select ux|uy|uz < x.x  -- selection based on unit coordinates
1197 #  draws x,y,z coordinates for the frame defined by the specified quaternion at the specified cente…
1469 # new feature: save [bonds|coordinates|orientation|selected|state|structure] DELETE
1692 # new feature: load of molecular dynamics topology file and coordinates
1708 #  -- quaternion is created based on three atoms or coordinates 
2697 # bug fix: state for draw arrow in multimodel context delivers wrong coordinates
2830 # new feature: save/restore coordinates
3067 # bug fix: ADF reader not reading coordinates for newer ADF output
3258 #  this creates an isosurface for model 1.2 that uses the atomic coordinates of model 1.1!
3312 # bug fix: select 1.5 in trajectory context should switch to that set of coordinates
4870 # bug fix for inability to specify fractional coordinates: adds fx, fy, fz as
5145 # the model is "molecular" -- the base atom coordinates are correct
5601 # atom expressions or XYZ coordinates and returns a decimal number for
5737 # atom expressions {1,2,3} and coordinates {x y z}, and this seems to me the