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copy(fromSICHO) |
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copies the data from another SICHO object
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readChain(file) |
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reads a SICHO chain file
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writeChain(file) |
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writes a SICHO chain file
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convert(parameters) |
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translates the lattice chain representation of the current structure to a new lattice resolution and/or with a new offset. Parameters of the new representation are given as in the constructor.
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getSimpleFromAllAtom(mol[,parameters]) |
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generates a simple lattice chain from an all atom model represented as a Molecule object Parameters for the new chain can be given as in the constructor.
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getRandomMONSSTER(num[,parameters]) |
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generates a random MONSSTER chain Parameters for the new chain can be given as in the constructor.
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genMONSSTERFromAllAtom(mol[,parameters]) |
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generates a MONSSTER chain from an all-atom structure represented as a Molecule object. Parameters for the new chain can be given as in the constructor. In addition fraglist may be used to provide a residue list for loop/fragment modeling. The chain for those residues will then be generated randomly.
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readMONSSTERTraj(file,timestep,cycle) |
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reads a single chian configuration from a MONSSTER trajectory. The configuration is identified by the time step and cycle indices.
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$success = nextMONSSTERTraj(handle) |
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reads the next chain configuration from a previously opened MONSSTER trajectory file. It returns 1 if successful, 0 otherwise.
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checkMONSSTER(show) |
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checks whether the current chain is a valid MONSSTER chain. It returns a non-zero value if it is not a valid MONSSTER chain. Additional information is printed if the argument show is set to 1
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fromMolecule(mol) |
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generates a lattice chain from a chain representation as a Molecule object.
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