Xmipp

xmipp_pdb_nma_deform (v3.0)

Usage

Deform a PDB according to a list of NMA modes It is assumed that there is a deformation value per mode, and that the number of vectors in the mode is the same as the number of atoms in the PDB

Parameters

--pdb <file>
PDB to deform
--nma <metadata_file>
List of modes, the metadata must use the label NMAModefile
--deformations <...>
Deformation amplitudes in each direction
-o <file>
Deformed PDB

Examples and notes

xmipp_pdb_nma_deform --pdb 2tbv.pdb -o 2tbv_deformed.pdb --nma modelist.xmd --deformations 15

User's comments

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