STM4 — open problems
Here are open problems with the current STM4 release. I hope to clean the list soon, but in the meantime please send
me problems you eventually find. Thanks!
- Apply Symmetries seems not to work with some symmetries (like P -6 for BN.res)
- Apply Symmetries does not work anymore after an "Illegal lattice translation (3)" message.
- After replicating a structure with fragment names and select fragment labels on fragments, the labels are crowded in the center of the structure.
- DCD reader: the file
bucky.dcd shows an out of range value
- ComputeSelectedBonds needs a reset all button, plus seems the bonds are computed in a strange way
- Strange overlapping atoms in gulp examples 12, 19 and 20. Idem for Shel-X Fajausite
- Compute Selected Bonds needs to be activated by a small change to max dist slider
- Strange symmetry for
nixquam_tri_p1.res. The original unit is outside the unit cell
- Verify if the limitation of data len equal 1 or 3 is justified
- PDB count frames: skip a frame if it has no ATOM or HETATM lines
- When replicating or selecting do not copy verbatim the fragment table
- The Draw Polyhedra module is difficult to use. It is missing a function to clear all polyhedra
Not really problems
- Should Move Structure rotate also associated vector data?
- The CIF reader needs a way to choose between multiple ways to describe symmetry
- Surface transparency in POV-Ray: not every surface!
- WritePOVray: add tetrahedra, add array of molecules
- Miller Plane: the scale values sometime (case nn0) enlarge the plane both directions, otherwise they enlarge them one side only
- Miller Plane: remove dependency from AVS vector macros