| 1 | 2006-03-22 Jan H. Meinke <j.meinke@fz-juelich.de>
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| 2 | * universe.py: Implemented function sheets().
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| 3 | * protein.py: Implemented more functions in Atom
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| 4 | * protein.py: Implemented search for strands
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| 5 | 2005-10-10 Jan H. Meinke <j.meinke@fz-juelich.de>
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| 6 | * redvar.f: Read global parameters from var files.
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| 7 | * Adjusted calls to ouvar to new interface. I now pass a file name instead of a unit number.
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| 8 | * outvar.f: Added molecule number.
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| 9 | * outvar.f: Added writing of all molecules into one variable file.
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| 10 |
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| 11 | 2005-10-06 Jan H. Meinke <j.meinke@fz-juelich.de>
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| 12 | * outpdb.f: Added writing of multi molecule pdb files.
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| 13 | 2005-10-05 Jan Meinke <j.meinke@fz-juelich.de>
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| 14 | * Removed some extra files.
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| 15 |
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| 16 | 2005-09-26 Jan H. Meinke <j.meinke@fz-juelich.de>
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| 17 | * Committed intermolecular interaction routine.
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| 18 |
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| 19 | 2005-09-21: Jan H. Meinke <j.meinke@fz-juelich.de>
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| 20 | * enyshe.f: If nml == 0 calculate energy over all atoms.
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| 21 |
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| 22 | 2005-09-19: Jan H. Meinke <j.meinke@fz-juelich.de>
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| 23 | * Added eninteract.f with function eninteract to project. Calculates interaction energy between molecules.
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| 24 | * enysol.f: Added if nmol == 0 then calculate energy over all atoms.
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| 25 | * enysol.f: nresi is total number of residues not just number of residues in first molecule.
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| 26 |
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| 27 | 2005-09-05: Jan H. Meinke <j.meinke@fz-juelich.de>
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| 28 | * Fixed calculation of number of free variables for the third and higher
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| 29 | molecules.
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| 30 | * Fixed loop range in rgyr() to take multiple molecules into account.
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