MetaDBparse (version 2.0.0)

sdfStream.joanna: Adjusted sdfStream version for databases that store their compounds in SDF format

Description

Adjusted from existing function to extract the columns needed for MetaDBparse database format

Usage

sdfStream.joanna(
  input,
  output,
  append = FALSE,
  fct,
  Nlines = 10000,
  startline = 1,
  restartNlines = 10000,
  silent = FALSE,
  ...
)

Arguments

input

input SDF file

output

output CSV file to write to

append

Append to existing CSV file or start anew?, Default: FALSE

fct

Function to apply to each object to get the wanted columns

Nlines

Lines to read in one go?, Default: 10000

startline

Start at line, Default: 1

restartNlines

Restart after x lines, Default: 10000

silent

Suppress warnings?, Default: FALSE

...

Other arguments

Value

Nothing, writes csv version of given SDF files to disk