Open nelse003 opened 6 years ago
Aim: When B factor isn't fixed by validation code, is a B factor close to that of original file recovered. Is that B factor recovered in
[ ] 1. Ability to read mean B factor, for ground and bound states, and overall
[ ] 2. Check for a variety of ligands/ datasets/ b factors.
[ ] 3. Cases where ligand B factor is different from surroundings.
[ ] 4. Put into automated integration test
May need presentation of points included/ not included in ground & bound states-
Aim: When B factor isn't fixed by validation code, is a B factor close to that of original file recovered. Is that B factor recovered in
[ ] 1. Ability to read mean B factor, for ground and bound states, and overall
[ ] 2. Check for a variety of ligands/ datasets/ b factors.
[ ] 3. Cases where ligand B factor is different from surroundings.
[ ] 4. Put into automated integration test
May need presentation of points included/ not included in ground & bound states-