dfireE: DFIRE Energy Evaluation for Protein Conformations
In compas: Conformational Manipulations of Protein Atomic Structures
Description
Usage
Arguments
Value
References
Examples
Description
Calculates the energy of a protein conformation using the DFIRE potential.
Usage
1
dfireE(pdb)
Arguments
pdb
A PDB object, read using read.pdb.
Value
Returns the DFIRE energy.
References
Zhou, Hongyi, and Yaoqi Zhou. "Distance-scaled, finite ideal-gas reference state improves structure-derived potentials of mean force for structure selection and stability prediction." Protein science 11.11 (2002): 2714-2726.
Examples
1
compas documentation built on Jan. 9, 2022, 1:06 a.m.
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Description Usage Arguments Value References Examples
Description
Calculates the energy of a protein conformation using the DFIRE potential.
Usage
1 | dfireE(pdb)
|
Arguments
pdb |
A PDB object, read using read.pdb. |
Value
Returns the DFIRE energy.
References
Zhou, Hongyi, and Yaoqi Zhou. "Distance-scaled, finite ideal-gas reference state improves structure-derived potentials of mean force for structure selection and stability prediction." Protein science 11.11 (2002): 2714-2726.
Examples
1 |
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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