PolyMaS: Polymer Maker SMILES-based (PolyMaS)
In AlchimiaInSilico/PolyMaS: Polymer Maker Smiles-based
Description
Usage
Arguments
Value
Examples
Description
This package performs the computational polymerization of linear molecules from their structural repetitive units by using Simplified Molecular Input Line Entry Specification (SMILES).
Usage
1
PolyMaS(SMILES_SRU, PD)
Arguments
SMILES_SRU
The Structural Repetitive Unit expresed by SMILES code. It must contain two asterisks (*), one indicating the head and the other indicating the tail.
PD
Polymerization Degree.
Value
The SMILES representation of the resulting polymer with the desired polymerization degree.
Examples
1
PolyMaS("*C(C*)c1ccccc1",19)
AlchimiaInSilico/PolyMaS documentation built on May 10, 2020, 9:43 a.m.
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Description Usage Arguments Value Examples
Description
This package performs the computational polymerization of linear molecules from their structural repetitive units by using Simplified Molecular Input Line Entry Specification (SMILES).
Usage
1 | PolyMaS(SMILES_SRU, PD)
|
Arguments
SMILES_SRU |
The Structural Repetitive Unit expresed by SMILES code. It must contain two asterisks (*), one indicating the head and the other indicating the tail. |
PD |
Polymerization Degree. |
Value
The SMILES representation of the resulting polymer with the desired polymerization degree.
Examples
1 | PolyMaS("*C(C*)c1ccccc1",19)
|
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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