Changeset 909 for trunk/export_shelx.tcl
- Timestamp:
- Dec 4, 2009 5:14:09 PM (11 years ago)
- File:
-
- 1 edited
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trunk/export_shelx.tcl
- Property rcs:date changed from 2002/01/22 21:45:59 to 2008/04/15 17:20:08
- Property rcs:rev changed from 1.1 to 1.2
- Property rcs:lines set to +5 -4
r528 r909 103 103 # determine SHELX occupancy 104 104 if {$mm} { 105 set m 1106 } else {107 105 # for macromolecular phases assume all atoms on 108 106 # general positions 107 set m 1 108 set frac [mmatominfo $phase $atom frac] 109 } else { 109 110 set m [atominfo $phase $atom mult] 110 111 if {$m != $maxmult} { … … 113 114 set m 1 114 115 } 116 set frac [atominfo $phase $atom frac] 115 117 } 116 set frac [atominfo $phase $atom frac]117 118 if {$frac == 1} { 118 119 set occ [expr {10 + $m}]
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