Revision: 20276
http://sourceforge.net/p/jmol/code/20276
Author: hansonr
Date: 2015-02-10 14:11:05 +0000 (Tue, 10 Feb 2015)
Log Message:
-----------
Jmol.___JmolVersion="14.3.12_2015.02.10"
bug fix: mmCIF reader does not flag first model of a multimodel set as a PDB
model
Modified Paths:
--------------
trunk/Jmol/src/org/jmol/adapter/readers/cif/CifReader.java
trunk/Jmol/src/org/jmol/modelset/Model.java
trunk/Jmol/src/org/jmol/viewer/Jmol.properties
Modified: trunk/Jmol/src/org/jmol/adapter/readers/cif/CifReader.java
===================================================================
--- trunk/Jmol/src/org/jmol/adapter/readers/cif/CifReader.java 2015-02-09
13:10:40 UTC (rev 20275)
+++ trunk/Jmol/src/org/jmol/adapter/readers/cif/CifReader.java 2015-02-10
14:11:05 UTC (rev 20276)
@@ -475,6 +475,8 @@
if (asc.iSet >= 0) {
// note that there can be problems with multi-data mmCIF sets each with
// multiple models; and we could be loading multiple files!
+ if (isMMCIF)
+ setModelPDB(true); // first model can be missed
asc.newAtomSet();
if (isMMCIF)
setModelPDB(true);
@@ -1289,6 +1291,8 @@
setAtomCoord(atom);
if (isMMCIF && !processSubclassAtom(atom, assemblyId, strChain))
continue;
+ if (asc.iSet < 0)
+ nextAtomSet();
asc.addAtomWithMappedName(atom);
if (id != null) {
asc.atomSymbolicMap.put(id, atom);
@@ -1304,7 +1308,7 @@
atom.vib = V3.new3(siteMult, 0, Float.NaN);
}
asc.setCurrentModelInfo("isCIF", Boolean.TRUE);
- if (isMMCIF)
+ if (isMMCIF && !isLigand)
setModelPDB(true);
if (isMMCIF && skipping)
skipping = false;
Modified: trunk/Jmol/src/org/jmol/modelset/Model.java
===================================================================
--- trunk/Jmol/src/org/jmol/modelset/Model.java 2015-02-09 13:10:40 UTC (rev
20275)
+++ trunk/Jmol/src/org/jmol/modelset/Model.java 2015-02-10 14:11:05 UTC (rev
20276)
@@ -35,7 +35,6 @@
import javajs.util.AU;
import javajs.util.P3;
import javajs.util.SB;
-import javajs.util.T3;
import org.jmol.util.BSUtil;
Modified: trunk/Jmol/src/org/jmol/viewer/Jmol.properties
===================================================================
--- trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2015-02-09 13:10:40 UTC
(rev 20275)
+++ trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2015-02-10 14:11:05 UTC
(rev 20276)
@@ -15,8 +15,12 @@
TODO: remove HTML5 dependency on synchronous file loading (check SCRIPT
command for problems)
TODO: add 2D graphics panel for Ramachandran and NBO-style 2D graphics -- send
to browser as data uri?
-Jmol.___JmolVersion="14.3.12_2015.02.09"
+Jmol.___JmolVersion="14.3.12_2015.02.10"
+bug fix: mmCIF reader does not flag first model of a multimodel set as a PDB
model
+
+JmolVersion="14.3.12_2015.02.09"
+
new feature: frame align {atoms} FIXED
-- shifts atom positions in each frame to match first atom in {atoms}
-- unlike just frame align {atoms}, frame * will still show alignment
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