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MOIL specifications
Information
| Unique identifier | OMICS_05084 |
|---|---|
| Name | MOIL |
| Software type | Package/Module |
| Interface | Command line interface, Graphical user interface |
| Restrictions to use | None |
| Input format | PDB |
| Operating system | Unix/Linux, Mac OS, Windows |
| Programming languages | Fortran |
| Computer skills | Advanced |
| Version | 12.0.3923 |
| Stability | Stable |
| Requirements |
TCL
|
| Maintained | Yes |
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Documentation
- Documentation: http://clsb.ices.utexas.edu/prebuilt/MOIL.pdf
Publication for MOIL
2011 J Chem Theory Comput
PMCID: 3274753
PMID: 22328867
DOI: 10.1021/ct200360f
MOIL in publication
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Dynamic void distribution in myoglobin and five mutants
PMCID: 3915302
PMID: 24500195
DOI: 10.1038/srep04011
[…] and the cutoff for electrostatics was 9 å. the summation of long range electrostatic forces was done by using particle mesh ewald sum method., molecular dynamic (md) simulations were performed using moil software. opls parameters were used for protein and tip3p for water. the geometry of the water molecules was fixed with matrix variant of shake algorithm, while shake is not applied to the bonds […]
MOIL institution(s)
Institute for Computational Engineering and Sciences, University of Texas, Austin, TX, USA; Department of Chemistry and Biochemistry, University of Texas, Austin, TX, USA
MOIL funding source(s)
This research was supported by NIH grant GM059796.
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