write_mol2: Write Sybyl mol2-file
In cinf: Basic tools for chemoinformatics
Description
Usage
Arguments
Examples
Description
Writes file in Sybyl mol2 format.
Usage
1
write_mol2(mdb, fname)
Arguments
mdb
molecular database (mdb)
fname
the name of the mol2 file to be written to disk
Examples
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## Save mol2 file
data("alkans74")
## Not run:
write_mol2(alkans74.mdb, "fname.mol2")
## End(Not run)
cinf documentation built on May 2, 2019, 5 p.m.
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Description Usage Arguments Examples
Description
Writes file in Sybyl mol2 format.
Usage
1 | write_mol2(mdb, fname)
|
Arguments
mdb |
molecular database (mdb) |
fname |
the name of the mol2 file to be written to disk |
Examples
1 2 3 4 5 6 | ## Save mol2 file
data("alkans74")
## Not run:
write_mol2(alkans74.mdb, "fname.mol2")
## 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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