Skip to content

MolfileReader and MolfileWriter should support atom value (V) in properties block #5

@ghost

Description

Neither MolfileReader nor MolfileWriter currently support atom values (V) in the properties block. For example:

[NO NAME]
  CHEMWRIT          2D
Created with MX - http://rapodaca.github.com/mx
  6  6  0  0  0  0  0  0  0  0  0 V2000
   -8.0649    0.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1989    0.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3329    0.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3329    1.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1989    2.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0649    1.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
V    1 This is carbon 1
V    2 This is carbon 2
V    3 And this is carbon 3
M  END

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions