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move

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源码售价： 5 个金币积分规则积分充值

资源说明：Quick and dirty program for moving atoms in PDB format

move
====

Quick and dirty program for moving atoms in PDB format

Compile using g++ or compiler of choice:

  g++ move.cpp -o move.exe

Modify file 'input' with indexes (starting from 1) to move
and coordinates to move by.

Then run:
  ./move.exe INITIAL_PDB FINAL_PDB

Only works with PDB files.
Only moves ATOM and HETATM type elements.
Not tested for extreme cases.
No periodic boundary stuff.

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