Welcome, Guest. Please login or register.

Author Topic: 3D molecular structure imaging software - can anyone help  (Read 1795 times)

Description:

0 Members and 1 Guest are viewing this topic.

Offline CyberusTopic starter

  • Hero Member
  • *****
  • Join Date: Feb 2003
  • Posts: 5696
    • Show only replies by Cyberus
3D molecular structure imaging software - can anyone help
« on: June 27, 2004, 07:01:09 PM »
Hi guys.
I was wondering if any of the chemists or perhaps physicists (glancing towards Kenny and Blobrana) know of any [preferably] free programs to generate a 3D molecular structure model for compounds [you know the ball and stick type ones].
It wouldn't have to be anything too fancy, but it would need to be user friendly [and bear in mind I'm a physicist, not a chemist]. And generate nice-looking images that can be freely used/distributed

Can anyone help?

T'would be much appreciated

Cheers

 :-)
I like Amigas
 

Offline dezignersrepublic

  • Sr. Member
  • ****
  • Join Date: Sep 2002
  • Posts: 370
    • Show only replies by dezignersrepublic
    • http://www.findingthem.com
Re: 3D molecular structure imaging software - can anyone help
« Reply #1 on: June 27, 2004, 10:59:42 PM »
Would this do??

There's also this.


Both are freeware.
--
 

Offline CyberusTopic starter

  • Hero Member
  • *****
  • Join Date: Feb 2003
  • Posts: 5696
    • Show only replies by Cyberus
Re: 3D molecular structure imaging software - can anyone help
« Reply #2 on: June 27, 2004, 11:10:17 PM »
That's really helpful mate, thanks. I wouldn't have known where to look.

Now I just need to find out if I can use the output freely - i.e. images are not copyrighted or anything

I like Amigas
 

Offline that_punk_guy

  • Hero Member
  • *****
  • Join Date: Aug 2002
  • Posts: 4526
    • Show only replies by that_punk_guy
Re: 3D molecular structure imaging software - can anyone help
« Reply #3 on: June 27, 2004, 11:28:13 PM »
I managed to crash Biodesigner pretty easily.
 

Offline KennyR

  • Hero Member
  • *****
  • Join Date: Mar 2002
  • Posts: 8081
    • Show only replies by KennyR
    • http://wrongpla.net
Re: 3D molecular structure imaging software - can anyone help
« Reply #4 on: June 27, 2004, 11:43:59 PM »
When I was at uni I used a nice online java-based thing to build molecules for pasting into my project. I've long since lost the URL though, and 45 min of googling and searching through stacks of dusty uni stuff didn't help. :-(
 

Offline Cymric

  • Hero Member
  • *****
  • Join Date: Nov 2002
  • Posts: 1031
    • Show only replies by Cymric
Re: 3D molecular structure imaging software - can anyone help
« Reply #5 on: June 28, 2004, 12:13:19 AM »
VMD looks like a nice program, but I wonder if there are truly chemists out there who use it except for making beautiful pictures to impress other people with. It sounds very cynical, but the molecules used to show off VMD are so hideously complex you probably couldn't even spot major changes in their internal structure.
Some people say that cats are sneaky, evil and cruel. True, and they have many other fine qualities as well.
 

Offline Karlos

  • Sockologist
  • Global Moderator
  • Hero Member
  • *****
  • Join Date: Nov 2002
  • Posts: 16867
  • Country: gb
  • Thanked: 4 times
    • Show only replies by Karlos
Re: 3D molecular structure imaging software - can anyone help
« Reply #6 on: June 28, 2004, 11:20:02 AM »
I think the examples are just to show of the power of the application. You don't have to load enzyme structures into it.

Going back a bit...

There was a nice and easy application for MacOS you can use comfortably under shapeshifter. Chem3D I think it was called and was designed to work alongside ChemDraw (used for skeletal structure drawing etc.) but ran happily as a stand alone.

I used my amiga to run shapeshifter for many such apps that I needed at the time. It could import a bunch of standard structure formats and had various visualisation options (including output to eps for printing, which was handy) and could do some basic operations including conformational energy minimisation - provided you have the patience to wait for it ;-)
int p; // A
 

Offline bloodline

  • Master Sock Abuser
  • Hero Member
  • *****
  • Join Date: Mar 2002
  • Posts: 12113
    • Show only replies by bloodline
    • http://www.troubled-mind.com
Re: 3D molecular structure imaging software - can anyone help
« Reply #7 on: June 28, 2004, 12:40:29 PM »
I used to used Chemoffice (I think it was called that), which included a molecular drawing program (probably ChemDraw) and also had extentions for M$ Word, that made putting the images (and tweaking them) in word really easy!

Offline Karlos

  • Sockologist
  • Global Moderator
  • Hero Member
  • *****
  • Join Date: Nov 2002
  • Posts: 16867
  • Country: gb
  • Thanked: 4 times
    • Show only replies by Karlos
Re: 3D molecular structure imaging software - can anyone help
« Reply #8 on: June 28, 2004, 01:01:00 PM »
Yep ChemDraw worked fine alongside MS Orifice. It used OLE (IIRC) so you could just plonk a drawing into your document and double click to edit it in chemdraw.
int p; // A
 

Offline blobrana

  • Hero Member
  • *****
  • Join Date: Mar 2002
  • Posts: 4743
    • Show only replies by blobrana
    • http://mysite.wanadoo-members.co.uk/blobrana/home.html
Re: 3D molecular structure imaging software - can anyone help
« Reply #9 on: June 30, 2004, 05:06:27 AM »
Hum,
I suppose i`d better say PovChem

(Used with pov-ray of course)