Version 7 (modified by 9 years ago) ( diff ) | ,
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Download and Redistribution
MoleCuilder is licensed under GPL v2. A tarball of the source code of the current version is made available here below.
Furthermore, ubuntu 12.04 packages (.deb) are being provided here for convenience. Several other packages are required as well that are not available from the repositories:
- codepatterns (see CodePatterns for debian package)
- libboost-all (available from Ubuntu repositories)
- libqt4 (available from Ubuntu repositories)
- libqt-3d (see wiki:Qt3D)
- levmar (see wiki:LevMar)
In the attachments also the user guide (in contrast to this wiki here or the Doxygen documentation in the source code meant for the developer) is available.
Note that CodePatterns is required, you can download a source archive here.
A refactored version of MPQC 2.3.1 is provided to overcome the to many open pipes/bad alloc failure when used for calculating fragment energies with MoleCuilder. Note that this version is provided as is and comes with absolutely no warranty. Note also that the original MPQC comes under LGPL/GPL licence. Hence, the source code is provided here and has to be compiled prior to use (similar to molecuilder with three steps: configure, make, and make install, also try out make check).
Attachments (11)
-
mpqc-2.3.1_refactored.tgz
(4.6 MB
) - added by 10 years ago.
Refactored version of mpqc 2.3.1 (md5sum: 446e9ec1b06900361a1bc4ff4612dbd5)
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molecuilder-1.5.0.tar.bz2
(8.7 MB
) - added by 9 years ago.
MoleCuilder v1.5.0 (source tar ball, sha256sum: ba5e1fb1664db49b724dc5a17d3f11910537829e1d57a842a6be6b6227afe8a4)
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molecuilder_1.5.0-1_amd64.deb
(18.4 MB
) - added by 9 years ago.
MoleCuilder v1.5.0 (debian package, Ubuntu 12.04.05, sha256sum: 9b943b9f823423bc6c64cea5d267db10f1c73edf2478da43380a13a9f4d3ecfe)
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molecuilder-dev_1.5.0-1_amd64.deb
(331.5 KB
) - added by 9 years ago.
MoleCuilder v1.5.0 (debian package, header files, sha256sum: cbe798588ba19d4e2f87648caea012d893ed6a4b3ff473c1cbc34822c7e9a3a3)
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molecuilder-dbg_1.5.0-1_amd64.deb.00
(31.9 MB
) - added by 9 years ago.
MoleCuilder v1.5.0 (first part of debian package, debugging symbols, sha256sum: 4954c0436ea6c9b32aeeae824d8bd595ec946bfb859f17312bdcd81046ed7454)
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molecuilder-dbg_1.5.0-1_amd64.deb.01
(31.9 MB
) - added by 9 years ago.
MoleCuilder v1.5.0 (first part of debian package, debugging symbols, sha256sum: bd20f5c69139ba07c2da01eb3592ce893cf382c4ddb716b29786a106554ced5d)
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molecuilder-1.5.4.tar.bz2
(8.8 MB
) - added by 8 years ago.
MoleCuilder v1.5.4 (source tar ball, sha256sum: 3c16ed8046771e7a391b22177e6905430da5c4bfcabd9103db80224c90a50dd4)
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molecuilder_1.5.4-1_amd64.deb
(9.4 MB
) - added by 8 years ago.
MoleCuilder v1.5.4 (debian package, Ubuntu 14.04.01, sha256sum: 9ad4f52f20a423a967a0439de6321afdb4b159a1995f5ccf04053310a86fce14)
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molecuilder-1.6.0.tar.bz2
(13.1 MB
) - added by 8 years ago.
MoleCuilder v1.6.0 (source tar ball, sha256sum: 65e245f942ef539c0c171025a08915c9dca4d968e2a986211b6682f73bea83df)
-
molecuilder.pdf
(380.7 KB
) - added by 8 years ago.
User guide for v1.6.0
-
molecuilder_1.6.0-1_amd64.deb
(15.9 MB
) - added by 8 years ago.
MoleCuilder v1.6.0 (debian package, Ubuntu 14.04.01, sha256sum: e11ea5ad5ea4e43b006401e3ca52859d92ca02fcbb69e3bc03d78a5a0a67dfa3)