25
edits
SHELXL: Difference between revisions
Jump to navigation
Jump to search
m
removed PDB file from output files as it is obsolete with Coot reading the .res-file. Furthermore, the PDB file is not written automatically, only if WPDB is present.
(→Installing of the multiprocessor version on a Mac: Xcode 3.2.2) |
m (removed PDB file from output files as it is obsolete with Coot reading the .res-file. Furthermore, the PDB file is not written automatically, only if WPDB is present.) |
||
| Line 16: | Line 16: | ||
== SHELXL Output files == | == SHELXL Output files == | ||
SHELXL writes a updated parameter file with the extension .res in the same format as the input .ins file, | SHELXL writes a updated parameter file with the extension .res in the same format as the input .ins file, and an output .fcf file containing phased reflection data in CIF format. This file can be used for depositing the reflection data with the PDB, and both the .res and the .fcf file can be read by Coot to enable the refined atoms and σ<sub>A</sub>-weighted maps to be displayed directly.<br> | ||