Orthorhombic to Orthogonal

Laurence Pearl pearl at bsm.biochemistry.ucl.ac.uk
Mon Oct 31 12:38:07 EST 1994


Duc Duong asks :
> is there a simple program that can do the conversion from orthorhombic
> to orthorgonal x,y,z coordinates?? better yet.. Is there a program can
> calculate xyz coordinates of other related molecules in a unit
> cell??.. Email please. thank you..

I may be missing the point, but as all the angles in an orthorhombic cell
are 90 degrees, the coordinates are orthogonal anyway. Do you want
to convert from fractional coordinates in an orthogonal space group
to Cartesian coordinates ???

Laurence Pearl




More information about the Xtal-log mailing list