<div class="centered" lang="en">
<h1>Molby</h1>
<h2>An Interactive Molecular Modeling Software<br />with Integrated Ruby Interpreter</h2>
-<h3>Version 0.5.6.1 build 20110803</h3> <!-- version -->
+<h3>Version 0.5.6.2 build 20110823</h3> <!-- version -->
<h3>Toshi Nagata</h3>
</div>
<div class="centered" lang="ja">
<h1>Molby</h1>
<h2>対話型分子モデリングソフトウェア<br />(Ruby インタプリタ内蔵)</h2>
-<h3>Version 0.5.6.1 build 20110803</h3> <!-- version -->
+<h3>Version 0.5.6.2 build 20110823</h3> <!-- version -->
<h3>永田 央</h3>
</div>
<hr />
An Interactive Molecular Modeling Software
with Integrated Ruby Interpreter
- Version 0.5.6.1 build 20110803
+ Version 0.5.6.2 build 20110823
Toshi Nagata
-version = "0.5.6.1"
-date = "20110803"
+version = "0.5.6.2"
+date = "20110823"
Frcmod インポート(antechamber/parmchk 後の読み込みを含む)で、原子タイプが一文字のものを正しく読めるように修正。
GAMESS dat, log ファイルから MO を読み込むように修正。
+2011.8.23.
+0.5.6.2.
+
+Gaussian fchk のインポートができなくなっていた (0.5.6.1 で発生)。修正。
+最後にコンパイルした日時を 'About' ダイアログで表示するようにした。
+Amber mdcrd のインポートで、座標が8桁になる時にエラーが発生していたので修正。
+構造最適化で時々クラッシュしていたのを修正。
+
+Fchk import was broken (enbug in 0.5.6.1); fixed.
+Final compile date/time is now shown in the 'About' window.
+Fix mdcrd import to allow coordinates using full 8 digits (like -123.456 or 1234.567).
+Occasional crash during minimization is fixed.
+
[Setup]
AppName = Molby
-AppVerName = Molby (v0.5.6.1 build 20110803)
+AppVerName = Molby (v0.5.6.2 build 20110823)
DefaultDirName = {pf}\Molby
DefaultGroupName = Molby
UninstallDisplayIcon = {app}\Molby.exe
GNU General Public License for more details.
*/
-const char *gVersionString = "v0.5.6.1 build 20110803";
+const char *gVersionString = "v0.5.6.2 build 20110823";
const char *gCopyrightString = "Copyright (c) 2008-2011 Toshi Nagata";
<key>CFBundleSignature</key>
<string>????</string>
<key>CFBundleVersion</key>
- <string>v0.5.6.1 build 20110803</string>
+ <string>v0.5.6.2 build 20110823</string>
</dict>
</plist>
E433CE810EC709BD00675985 /* Missing.h */ = {isa = PBXFileReference; fileEncoding = 4; lastKnownFileType = sourcecode.c.h; name = Missing.h; path = ../MolLib/Missing.h; sourceTree = SOURCE_ROOT; };
E433CE820EC709BD00675985 /* MolAction.c */ = {isa = PBXFileReference; fileEncoding = 4; lastKnownFileType = sourcecode.c.c; name = MolAction.c; path = ../MolLib/MolAction.c; sourceTree = SOURCE_ROOT; wrapsLines = 1; };
E433CE830EC709BD00675985 /* MolAction.h */ = {isa = PBXFileReference; fileEncoding = 4; lastKnownFileType = sourcecode.c.h; name = MolAction.h; path = ../MolLib/MolAction.h; sourceTree = SOURCE_ROOT; };
- E433CE840EC709BD00675985 /* Molecule.c */ = {isa = PBXFileReference; fileEncoding = 4; lastKnownFileType = sourcecode.c.c; name = Molecule.c; path = ../MolLib/Molecule.c; sourceTree = SOURCE_ROOT; };
+ E433CE840EC709BD00675985 /* Molecule.c */ = {isa = PBXFileReference; fileEncoding = 4; lastKnownFileType = sourcecode.c.c; name = Molecule.c; path = ../MolLib/Molecule.c; sourceTree = SOURCE_ROOT; wrapsLines = 1; };
E433CE850EC709BD00675985 /* Molecule.h */ = {isa = PBXFileReference; fileEncoding = 4; lastKnownFileType = sourcecode.c.h; name = Molecule.h; path = ../MolLib/Molecule.h; sourceTree = SOURCE_ROOT; };
E433CE860EC709BD00675985 /* MolLib.h */ = {isa = PBXFileReference; fileEncoding = 4; lastKnownFileType = sourcecode.c.h; name = MolLib.h; path = ../MolLib/MolLib.h; sourceTree = SOURCE_ROOT; };
E433CE870EC709BD00675985 /* Object.c */ = {isa = PBXFileReference; fileEncoding = 4; lastKnownFileType = sourcecode.c.c; name = Object.c; path = ../MolLib/Object.c; sourceTree = SOURCE_ROOT; };