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CaviFinder func in __init__
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karolamik13 committed Dec 18, 2024
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* :class:`.Interactions` - store inteactions for a single PDB structure
* :class:`.InteractionsDCD` - store interactions for a trajectory
Detect channels, tunnels and pores with CaviFinder
====================
Use the following to analyze cavities within protein structures
in single PDB file or in trajectory:
* :func:`.getVmdModel` - generates a 3D model of proten, using VMD, which is then use for visualization
* :func:`.calcChannels` - computes and identifies channels
* :func:`.calcChannelsMultipleFrames` - compute channels for each frame in a given trajectory or PDB ensemble
* :func:`.getChannelParameters` - extracts and returns the lengths, bottlenecks, and volumes of each channel
* :func:`.getChannelAtoms` - generates an AtomGroup object representing the atoms along the paths of the given channels
* :func:`.showChannels` - visualizes the channels using Open3D
* :func:`.showCavities` - visualizes the cavities using Open3D
Compare/align chains
====================
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