Filename | Latest Rev | Last Changed | Committer | Comment | Size | ||
---|---|---|---|---|---|---|---|
.. | |||||||
minimizers | 62 | 17 years ago | saladin | * Added Fortran 77 L-BFGS minimizer (with little m | |||
PyAttract | 68 | 17 years ago | saladin | Directory for Attract with python | |||
Pybindings | 99 | 16 years ago | saladin | Pyste replaced by Py++ for automatic Python bindin | |||
Tests | 111 | 16 years ago | saladin | some basic unit tests created in python. proof th | |||
Tutorial | 113 | 16 years ago | saladin | added project of a tutorial | |||
.bzrignore | 421 | 14 years ago | Adrien Saladin | .bzrignore file | 93 bytes | ||
atom.cpp | 416 | 14 years ago | asaladin | bug fix in rigidbody pdb formating | 1.2 KB | ||
atom.h | 367 | 15 years ago | asaladin | using svn revision number in ptools (1) | 2.9 KB | ||
atomselection.cpp | 394 | 15 years ago | asaladin | few modifications to Extract.py | 2.6 KB | ||
atomselection.h | 394 | 15 years ago | asaladin | few modifications to Extract.py | 1.6 KB | ||
attractforcefield.cpp | 421.1.1 | 14 years ago | Adrien Saladin | split forcefield.h/cpp for attract specific featur | 18.3 KB | ||
attractforcefield.h | 421.1.1 | 14 years ago | Adrien Saladin | split forcefield.h/cpp for attract specific featur | 6.7 KB | ||
attractrigidbody.cpp | 412 | 15 years ago | asaladin | added a constructor to simplify the creation of At | 2.6 KB | ||
attractrigidbody.h | 412 | 15 years ago | asaladin | added a constructor to simplify the creation of At | 3.9 KB | ||
basetypes.cpp | 390 | 15 years ago | asaladin | removed all references to 'QBestfit', translated V | 1.9 KB | ||
basetypes.h | 394 | 15 years ago | asaladin | few modifications to Extract.py | 5.5 KB | ||
coord3d.cpp | 367 | 15 years ago | asaladin | using svn revision number in ptools (1) | 409 bytes | ||
coord3d.h | 367 | 15 years ago | asaladin | using svn revision number in ptools (1) | 2.4 KB | ||
coordsarray.cpp | 418 | 14 years ago | asaladin | fix buffer overflow when printing 4x4 matrices | 5.4 KB | ||
coordsarray.h | 367 | 15 years ago | asaladin | using svn revision number in ptools (1) | 4 KB | ||
COPYING | 223 | 15 years ago | asaladin | GNU GPL v3 | 34.3 KB | ||
derivify.h | 367 | 15 years ago | asaladin | using svn revision number in ptools (1) | 16.7 KB | ||
Doxyfile | 404 | 15 years ago | asaladin | ignore Test directory | 9.9 KB | ||
forcefield.cpp | 421.1.1 | 14 years ago | Adrien Saladin | split forcefield.h/cpp for attract specific featur | 1.9 KB | ||
forcefield.h | 421.1.1 | 14 years ago | Adrien Saladin | split forcefield.h/cpp for attract specific featur | 1 KB | ||
geometry.cpp | 388 | 15 years ago | asaladin | superpose_sippl returns a Superpose_t structure, c | 7.4 KB | ||
geometry.h | 388 | 15 years ago | asaladin | superpose_sippl returns a Superpose_t structure, c | 1.7 KB | ||
interface.py | 409 | 15 years ago | asaladin | removed Pdb and Model classes from python bindings | 3.8 KB | ||
Makefile | 419 | 14 years ago | asaladin | added the Python lib to the default targets | 311 bytes | ||
mcopff.cpp | 367 | 15 years ago | asaladin | using svn revision number in ptools (1) | 6.1 KB | ||
mcopff.h | 421.1.1 | 14 years ago | Adrien Saladin | split forcefield.h/cpp for attract specific featur | 2.3 KB | ||
nonbon8.f90 | 92 | 16 years ago | saladin | fortran energy routine added for tests | 2.8 KB | ||
pairlist.cpp | 367 | 15 years ago | asaladin | using svn revision number in ptools (1) | 2.2 KB | ||
pairlist.h | 367 | 15 years ago | asaladin | using svn revision number in ptools (1) | 1.5 KB | ||
pdbio.cpp | 405 | 15 years ago | asaladin | removed unused classes | 4.1 KB | ||
pdbio.h | 405 | 15 years ago | asaladin | removed unused classes | 620 bytes | ||
ptools.h | 390 | 15 years ago | asaladin | removed all references to 'QBestfit', translated V | 536 bytes | ||
ptools.py | 374 | 15 years ago | asaladin | Version class more pythonic (print Version() shows | 344 bytes | ||
py_details.h | 367 | 15 years ago | asaladin | using svn revision number in ptools (1) | 770 bytes | ||
rigidbody.cpp | 416 | 14 years ago | asaladin | bug fix in rigidbody pdb formating | 6.8 KB | ||
rigidbody.h | 416 | 14 years ago | asaladin | bug fix in rigidbody pdb formating | 6.6 KB | ||
rmsd.cpp | 390 | 15 years ago | asaladin | removed all references to 'QBestfit', translated V | 1 KB | ||
rmsd.h | 390 | 15 years ago | asaladin | removed all references to 'QBestfit', translated V | 320 bytes | ||
SConstruct | 421.1.1 | 14 years ago | Adrien Saladin | split forcefield.h/cpp for attract specific featur | 7.3 KB | ||
screw.h | 390 | 15 years ago | asaladin | removed all references to 'QBestfit', translated V | 2.4 KB | ||
superpose.cpp | 390 | 15 years ago | asaladin | removed all references to 'QBestfit', translated V | 12.3 KB | ||
superpose.h | 390 | 15 years ago | asaladin | removed all references to 'QBestfit', translated V | 2.2 KB | ||
surface.cpp | 367 | 15 years ago | asaladin | using svn revision number in ptools (1) | 7 KB | ||
surface.h | 367 | 15 years ago | asaladin | using svn revision number in ptools (1) | 1.3 KB | ||
svnrev.c | 367 | 15 years ago | asaladin | using svn revision number in ptools (1) | 10.5 KB | ||
svnrev.h | 421.1.1 | 14 years ago | Adrien Saladin | split forcefield.h/cpp for attract specific featur | 393 bytes | ||
version.cpp | 394 | 15 years ago | asaladin | few modifications to Extract.py | 130 bytes | ||
version.h | 367 | 15 years ago | asaladin | using svn revision number in ptools (1) | 227 bytes |