comparison distance_finder.py @ 13:3ecaa9634126 draft

"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"

12:5b66a1684f18

# Each record in the SDF input is read and the closest heavy atom to each of the reference points is recorded as
# a property named distance1 where the numeric part is the index (starting from 1) of the points (in that example
# there would be properties for distance1, distance2 and distance3.

import argparse, os, sys, math
from openbabel import pybel



def log(*args, **kwargs):
    """Log output to STDERR
    """

13:3ecaa9634126

# Each record in the SDF input is read and the closest heavy atom to each of the reference points is recorded as
# a property named distance1 where the numeric part is the index (starting from 1) of the points (in that example
# there would be properties for distance1, distance2 and distance3.

import argparse, os, sys, math

from openbabel import pybel


def log(*args, **kwargs):
    """Log output to STDERR
    """