AutomationFragmentation_failures
Candidate_v1.6.1
Candidate_v1.7.0
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization_continued
Exclude_Hydrogens_annealWithBondGraph
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
JobMarket_RobustOnKillsSegFaults
PythonUI_with_named_parameters
StoppableMakroAction
TremoloParser_IncreasedPrecision
stable
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Last change
on this file since 1e58bb was caece4, checked in by Frederik Heber <heber@…>, 11 years ago |
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Enhanced documentation significantly.
- went through all of the constructs and updated each.
- enhanced documentation ofr Fragmentation::FragmentMolecule().
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-
Property mode
set to
100644
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File size:
1.4 KB
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| 1 | /*
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| 2 | * Project: MoleCuilder
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| 3 | * Description: creates and alters molecular systems
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| 4 | * Copyright (C) 2010 University of Bonn. All rights reserved.
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| 5 | * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
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| 6 | */
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| 7 |
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| 8 | /**
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| 9 | * \file launch.dox
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| 10 | *
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| 11 | * Created on: Oct 28, 2011
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| 12 | * Author: heber
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| 13 | */
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| 14 |
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| 15 | /**
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| 16 | * \page launch Running the code
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| 17 | *
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| 18 | * Before you have done
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| 19 | * \code
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| 20 | * make install
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| 21 | * \endcode
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| 22 | * The executables are in the \b src folder of your build directory. There are
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| 23 | * two variants:
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| 24 | * - molecuilder (contains command line and text interface)
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| 25 | * - molecuildergui (contains graphical user interface)
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| 26 | * There is one more variant, a python module, residing in the libs folder:
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| 27 | * - pyMoleCuilder
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| 28 | *
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| 29 | * The programs can be executed by running:
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| 30 | * - Text menu: Launching molecuilder with no options always gives the text menu.
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| 31 | * \code ./molecuilder \endcode
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| 32 | * - Command line menu: Depends on what you want, but an exemplary call is
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| 33 | * \code ./molecuilder -i test.xyz -o tremolo xyz -v 3 --add-atom H --position "0,0,0"\endcode
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| 34 | * - Graphical menu
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| 35 | * \code ./molecuildergui \endcode
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| 36 | * - Python interface
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| 37 | * \code PYTHONPATH="<installpath>/libs" /usr/bin/python \endcode
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| 38 | * Then try,
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| 39 | * \code
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| 40 | * import pyMoleCuilder as mol
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| 41 | * help(mol)
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| 42 | * \endcode
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| 43 | *
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| 44 | * The user interface are explained in greater detail in \ref userinterfaces.
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| 45 | *
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| 46 | *
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| 47 | * \date 2014-03-10
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| 48 | *
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| 49 | */
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