RemoveHydrogenAtoms: Remove Hydrogen and Deuterium Atoms
In vanddraabe: Identification and Statistical Analysis of Conserved Waters Near Proteins
Description
Usage
Arguments
Details
Value
Author(s)
See Also
Examples
Description
Removes hydrogen atoms from a RCSB/PDB structure.
Usage
1
RemoveHydrogenAtoms(atoms.chains.oi)
Arguments
atoms.chains.oi
The data.frame containing the PDB file information;
aka the PDB structure
Details
Removes hydrogen and deuterium atoms from a PDB formatted
base::data.frame() with PDB formatted information.
Value
data.frame of the PDB structure without hydrogen or deuterium
atoms
Author(s)
Emilio Xavier Esposito emilio@exeResearch.com
See Also
Other "Clean Protein Structure": CleanProteinStructures,
RemoveModeledAtoms,
RemoveOoR.b, RemoveOoR.o,
RetainWatersWithinX
Examples
1
2
3
PDB.5rxn.noHydrogens <- RemoveHydrogenAtoms(PDB.5rxn$atom)
vanddraabe documentation built on June 8, 2019, 1:03 a.m.
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Description Usage Arguments Details Value Author(s) See Also Examples
Description
Removes hydrogen atoms from a RCSB/PDB structure.
Usage
1 | RemoveHydrogenAtoms(atoms.chains.oi)
|
Arguments
atoms.chains.oi |
The data.frame containing the PDB file information; aka the PDB structure |
Details
Removes hydrogen and deuterium atoms from a PDB formatted
base::data.frame() with PDB formatted information.
Value
data.frame of the PDB structure without hydrogen or deuterium atoms
Author(s)
Emilio Xavier Esposito emilio@exeResearch.com
See Also
Other "Clean Protein Structure": CleanProteinStructures,
RemoveModeledAtoms,
RemoveOoR.b, RemoveOoR.o,
RetainWatersWithinX
Examples
1 2 3 |
PDB.5rxn.noHydrogens <- RemoveHydrogenAtoms(PDB.5rxn$atom)
|
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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