regenerateCoords: Re-generate 2D Coordinates
In ChemmineR: Cheminformatics Toolkit for R
Description
Usage
Arguments
Value
Author(s)
See Also
Examples
Description
This uses Open Babel (requires ChemmineOB package) to re-generate
the 2D coordinates of compounds. This often results in a
nicer layout of the compound when plotting.
Usage
1
regenerateCoords(sdf)
Arguments
sdf
A SDF or SDFset object whose coordinates will be re-generated.
Value
Either an SDF object if given an SDF, or else and SDFset.
Author(s)
Kevin Horan
See Also
Examples
1
2
3
4
5
## Not run:
data(sdfsample)
prettySdfset = regenerateCoords(sdfsample[1:4])
## End(Not run)
ChemmineR documentation built on Feb. 28, 2021, 2:02 a.m.
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Description Usage Arguments Value Author(s) See Also Examples
Description
This uses Open Babel (requires ChemmineOB package) to re-generate the 2D coordinates of compounds. This often results in a nicer layout of the compound when plotting.
Usage
1 | regenerateCoords(sdf)
|
Arguments
sdf |
A SDF or SDFset object whose coordinates will be re-generated. |
Value
Either an SDF object if given an SDF, or else and SDFset.
Author(s)
Kevin Horan
See Also
Examples
1 2 3 4 5 | ## Not run:
data(sdfsample)
prettySdfset = regenerateCoords(sdfsample[1:4])
## End(Not run)
|
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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