MN.2DCOOR - 2D Coordinates Generator for 2D Depiction

Overview [hide]
  1. Features & Functionality
  2. User Interface
  3. System Requirements
  4. Example
  5. Additional Info
  6. Online Demonstration
  7. Evaluation Version

2DCOOR generates 2D coordinates suited for 2D depictions in publishing quality.

Features & Functionality

Features Description
input file format SDFile
output file format SDFile
orientation 2D structures can be aligned to the x or y axis
alignment 2D structures can be aligned on 'template' structures provided in a separate file
speed and reliability processes a data set of 100,100 small to medium-sized molecules in 667 sec on a 1.0 GHz workstation (7 ms/cpd, 100% conversion rate)

User Interface

System Requirements

  • Microsoft Windows NT/2000/XP
  • SUSE Linux (Release 8/9/10, Kernel 2.4/2.6 for x86, 32/64bit)
  • RedHat Linux (Release 8/9/Enterprise, Kernel 2.4/2.6 for x86, 32bit)
  • Sun SPARC, Solaris 2.9 or higher
  • Silicon Graphics, IRIX 6.5

Example

2DCOOR is able to align the layout of images according to a substructure template. The template can be specified by a given substructure or a template file.
In the example given here the three structures should be aligned to the piperidine template:
piperidine as a template
The input file consists of the following three structures with arbitrary arrangement of the piperidine template.
structure no. 1 structure no. 2 structure no. 3
In the output file the structures are all aligned in the same way based on the piperidine template.
aligned no. 1 aligned no. 2 aligned no. 3

Additional Info

Downloadable PDFs

Online Demonstration

2DCOOR can be tested free of charge online.

Evaluation Version

A demo version is available on request free of charge. Please register yourself for our download area.