iqspr (version 2.3)

viewstr: view 2D structures from SMILES string vector

Description

View 2D structures from SMILES strings vector

Usage

viewstr(smis = NULL, width = 500, height = 500, nrow = 2, ncol = 2,
  legend = "")

Arguments

smis

is a SMILES strings vector to submit.

width

of the picture

height

of the picture

nrow

is the number of rows for the table of molecular depictions

ncol

is the number of columns for the table of molecular depictions

legend

is the text to appear for each molecular depiction in the top left corner

Value

a plot of requested 2D structures.

Examples

# NOT RUN {
viewstr(c("c1ccc2ccc3c(NCCN(C)C)cc(nc3c2c1)", "c1ccc2ccc3c(NCCN(CC)CCCl)cc(nc3c2c1)",
 "c1ccc2ccc3c(NC(CC)CC)cc(nc3c2c1)", "c1ccc2ccc3c(c2c1)ncc(c3NCCNCC=CCCCC)"))

# }