CCL: Open Source 3D coordinate generation tool
- From: Rajarshi Guha <rguha{:}indiana.edu>
- Subject: CCL: Open Source 3D coordinate generation tool
- Date: Tue, 21 Aug 2007 15:22:04 -0400
Sent to CCL by: Rajarshi Guha [rguha]_[indiana.edu]
On Aug 21, 2007, at 12:44 PM, Igor Filippov Contr igorf(!)
helix.nih.gov wrote:
Sent to CCL by: "Igor Filippov [Contr]" [igorf .. helix.nih.gov]
Rajarshi,
This is a great development, and I'm sure it will be welcomed by many!
Congratulations!
Thank you!
- Is there any specific reason for Apache license? Do
you think it
might
present difficulties for people who'd like to include this project in
their GPL code?
My understanding is that the Apache license is very permissive and
that the code can be included in GPL and related code.
- smi2sdf program seems to include an empty "name" property in the sd
output, and mengine has an empty "title" property - it might confuse
some other programs.
Did the input SMILES have a title - I think that maybe the reason
- mengine seems to miss empty lines between the
properties it adds,
for
example:
We'll take a look at these problems and see what's going on
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Rajarshi Guha <rguha^indiana.edu>
GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E634 9B87 56EE
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After a number of decimal places, nobody gives a damn.