OEReadCIFGridFile
OEReadCIFGridFile(filename: str, sgrid: OESkewGrid, maptype: int) -> bool
Read a structure factor CIF file into an OpenEye skew grid. The grid requires that the proper column name be present to extract the appropriate reflection data.
The following map types can be read using predefined operations on the sfCIF data:
MapType |
Description |
|---|---|
Observed Reflections |
|
Map generated from calculated model |
|
2Fo - Fc |
|
3Fo - Fc |
|
5Fo - 3Fc |
|
2Fo - Fc Sigma-A weighted |
|
Fo - Fc Sigma-A weighted |
|
Fo*Fo |
|
Fo * figure of merit |
|
2mFo - DFc (normally) |
|
mFo - DFc (normally) |
|
No reflections (used as a status flag) |