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How do I convert my structure from a .gro, .tpr, or trajectory file to a .pdb file? |
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Friday, 09 September 2005 |
Any generic structure file, for instance .gro, .pdb or .tpr, can be converted to .pdb with editconf. You can view a .pdb file with several programs, for instance rasmol. Two generic structure files can be fitted with g_confrms, the two superimposed structures can be written to a .pdb file. Any generic trajectory format can be converted with trjconv. You can dump one frame with trjconv -dump, or write a .pdb with multiple frames using trjconv -op -app. If multiple structures in a .pdb are separated by ENDMDL keywords, you should use rasmol -nmrpdb to view them.
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