Changeset 57 for trunk/readexp.tcl

Timestamp:

Dec 4, 2009 4:59:41 PM (11 years ago)

Author:

toby

Message:

# on 1999/02/18 23:28:46, toby did:
Fix U aniso order

File:

• trunk/readexp.tcl (modified) (3 diffs, 3 props)

trunk/readexp.tcl

@@ -487 +487 @@
 #     U33  -- Anisotropic temperature factor (*)
 #     U12  -- Anisotropic temperature factor (*)
+#     U13  -- Anisotropic temperature factor (*)
 #     U23  -- Anisotropic temperature factor (*)
-#     U13  -- Anisotropic temperature factor (*)
 #     xref/xdamp -- refinement flag/damping value for the coordinates (*)
 #     uref/udamp -- refinement flag/damping value for the temperature factor(s)  (*)
@@ -560 +560 @@
                 } elseif {$type == "12"} {
                     return [string trim [string range [readexp ${key}B] 30 39] ]
+                } elseif {$type == "13"} {
+                    return [string trim [string range [readexp ${key}B] 40 49] ]
                 } elseif {$type == "23"} {
-                    return [string trim [string range [readexp ${key}B] 40 49] ]
-                } elseif {$type == "13"} {
                     return [string trim [string range [readexp ${key}B] 50 59] ]
                 }
@@ -577 +577 @@
                 } elseif {$type == "12"} {
                     setexp ${key}B $value 31 10
+                } elseif {$type == "13"} {
+                    setexp ${key}B $value 41 10
                 } elseif {$type == "23"} {
-                    setexp ${key}B $value 41 10
-                } elseif {$type == "13"} {
                     setexp ${key}B $value 51 10
                 }