Bioinformatics.org
[NEU MS in Bioinformatics]
Not logged in

Bioinformatics.org
Membership (37278+) Group hosting [?]

Careers
About bioinformatics
Bioinformatics training
Bioinformatics jobs

Research
All information groups
Online databases Online analysis tools Online education tools More tools

Development
All software groups
FTP repository
SVN & CVS repositories [?]
Mailing lists

Forums
News & Commentary
Jobs Forum
(Career Center)

Molekel - Message forums

Discussion forums: Help

Expanded view | Monitor forum | Save place

Message
Re: opening .mkl file
Submitted by greib; posted on Thursday, July 10, 2008
Well is it possible to convert any .mkl files to one of the new openbabel formats? I have lots of .mkl files but would like to use the new features and even if I had to convert them it would be easier than rebuilding new files from scratch. Thanks in advance for any info or script to achieve this.



Post a followup to this message:
You have to be logged in to post a reply.
Thread view
opening .mkl file
Submitted by Herbert Fruchtl; posted on Monday, March 03, 2008
When I try to open an mkl file (created by ORCA's orca_2mkl utility, with the express purpose of viewing with MOLEKEL), I get the following error: Cannot read file: /home/hf63/Dendrimers_2/Charges_and_geometries/POSS-vbp0-zindo.mkl with OpenBabel Is this format not supported (the ORCA manual advertises the utility program explicitly for using MOLEKEL), or do I have to open it some other way? Thanks in advance, Herbert
Re: opening .mkl file
Submitted by Molekel Admin; posted on Tuesday, March 04, 2008
You should use Molekel 4.3 to visualize .mkl files.
Re: opening .mkl file
Submitted by greib; posted on Thursday, July 10, 2008
Well is it possible to convert any .mkl files to one of the new openbabel formats? I have lots of .mkl files but would like to use the new features and even if I had to convert them it would be easier than rebuilding new files from scratch. Thanks in advance for any info or script to achieve this.

 

Copyright © 2016 · Scilico, LLC