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7101ae69

Commit 7101ae69 authored 14 years ago by Marco Biasini

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SaveCHARMMTraj saves the PDB files in CHARMM format

parent 06677583

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modules/io/pymod/__init__.py 2 additions, 2 deletions

modules/io/pymod/__init__.py
modules/io/pymod/export_pdb_io.cc 1 addition, 0 deletions

modules/io/pymod/export_pdb_io.cc
modules/io/src/mol/dcd_io.cc 2 additions, 1 deletion

modules/io/src/mol/dcd_io.cc
modules/io/src/mol/pdb_writer.cc 46 additions, 25 deletions

modules/io/src/mol/pdb_writer.cc
modules/io/src/mol/pdb_writer.hh 7 additions, 6 deletions

modules/io/src/mol/pdb_writer.hh

with 58 additions and 34 deletions

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