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Thread: Obstacle for chemists to use Ubuntu = ChemDraw

  1. #101
    Join Date
    Dec 2006
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    678

    Re: Obstacle for chemists to use Ubuntu = ChemDraw

    Quote Originally Posted by jbrefort View Post
    Might be a Gtk+ issue. I don't get that on debian sid, so it is hard to track what's going on.
    I suspected the same, but I can't find any other Gtk+ programs with the same issue. That's why I posted here first - if this is unique to me, then perhaps I just have an odd Gtk+ setup somehow, or there is some subtle difference between my system and Laserjock's that's triggering this? So if anyone using Laserjock's build on Gutsy could please respond either way....

  2. #102
    Join Date
    Nov 2007
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    Nantes (France)
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    76

    Re: Obstacle for chemists to use Ubuntu = ChemDraw

    There is an issue. When I type a path with sapces for an inexistant file, gchempaint crashes. You might file a bug report. I'll manage to make a patch during the week-end if my current grading work allows.

  3. #103
    Join Date
    Nov 2007
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    Nantes (France)
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    76

    Re: Obstacle for chemists to use Ubuntu = ChemDraw

    The crash was not related with the spaces in the path, but to the fact that the file did not exist. I filed the bug report and attached a patch: https://savannah.nongnu.org/bugs/?22686

    The "%20" which replace the spaces are normal because the file name is converted to an uri, so this is not harmful.
    Thanks for reporting, and don't hesitate to tell me if it does not fix the issue for you.

  4. #104
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    Dec 2006
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    678

    Re: Obstacle for chemists to use Ubuntu = ChemDraw

    Unfortunately, the issue I'm seeing is not the same, as the patch did not solve my problem. I went ahead and filed a bug report, along with the major dependency versions I used to compile, in the event that's where the problem is.

  5. #105
    Join Date
    Nov 2007
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    76

    Re: Obstacle for chemists to use Ubuntu = ChemDraw

    Fixed, a patch has been published: https://savannah.nongnu.org/bugs/dow...?file_id=15314

  6. #106
    Join Date
    Jun 2007
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    Hidden!

    Re: Obstacle for chemists to use Ubuntu = ChemDraw

    Yeah!
    Hooray, fixed after 8 years or so

    It's also in the repositories now - read somewhere else it was fixed, updated, worked.

    Cheers and toodles,
    I

    PS. it doesn't matter so much now, because it's fixed and hopefully for good, but in general you might want to keep unrelated discussions like the one about gchempaint out of an existing thread and open a new thread. That helps people who google for a problem and come upon a thread dealing with their problem to just see relevant things and not have to wade through 20 pages of unrelated things (although in this case the topic was a bit broader anyways - if it's addressing distinctly different problem it's better off in a different thread - which makes finding both problems/solutions easier)
    Last edited by Iridos; September 29th, 2008 at 12:25 AM.

  7. #107
    Join Date
    Apr 2007
    Location
    Oregon
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    388
    Distro
    Ubuntu 10.10 Maverick Meerkat

    Re: Obstacle for chemists to use Ubuntu = ChemDraw

    Fellow Chembunters,

    Thumbs up to GChempaint and others!

    BTW, did you guys know that ChemDraw 9 now works under Wine near perfectly?
    Even NMR predictions + Chem3D work! Those of you who have legit licenses should try it. My campus has ChemOffice 9, 10, 11 licenses.
    I also own my own ChemDraw6 license and it works under the newest wine too!
    And the latest GChempaint is very impressive as well; you can copy and paste into OO Writer, etc.

    So I declare this year the year of Independence from Windows for Chemists!

    Tak

  8. #108
    Join Date
    Oct 2007
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    441

    Re: Obstacle for chemists to use Ubuntu = ChemDraw

    Forgive me if this has been mentioned, but I was wondering if anyone has used chemdraw 10 or 11 in wine? We have a site licence for it so I was thinking of giving it a try soon. Otherwise I'll just use it in my VM but its a bit of a pain.

  9. #109
    Join Date
    Jan 2007
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    93

    Re: Obstacle for chemists to use Ubuntu = ChemDraw

    Wine 1.0.0.1

    chemdraw ultra 7.0 : no problems : a breeze!

  10. #110
    Join Date
    May 2007
    Beans
    25
    Distro
    Ubuntu 10.04 Lucid Lynx

    Re: Obstacle for chemists to use Ubuntu = ChemDraw

    mister_pink and everyone,

    CD10/11 do not really work under wine, as they require .NET 2.0 (which can be installed separately).
    I installed .NET 2.0 using winetricks and CD11, and I have come as far as seeing the program window, but the first problem at hand is not being able to register.

    It is like the registration scripts cannot access the internet. It just sits there, and then it gives you an error. If I remember correctly, I monitored the network for activity while trying to authenticate the software, and there was none.

    If anyone cracks this open, please let us know =)

    Now for my two cents on the other suites:

    GChem is good, but needs more tools(ms fragmenter, NMR prediction(couple with quantum calculations), hotkey bond sprouting, more journal templates). But it is truly best with a native app, so many thanks to the developers - please continue your excellent work

    Marvin 5.1.2 is positively more complex but it doesn't have NMR prediction, and I cant find anywhere to choose journal template for the document. And how do I turn off the implicit hydrogens, and why doesn't it allow me to select one molecule on the screen for elemental analysis in stead of returning the mass for all of them?

    And this one goes out to all makers of chemistry software; Cleaning a structure should not cause the rotation of the structure - only the adjustment of the bond angles. One develops a favourite view of compounds one works with and so a carbonyl doesn't always need to have the oxygen upwards =)

    Please forgive me and correct me if any of the above complaints are wrong, and I just haven't found the right option.

    I am sad to say though, that I think CD11 is still ahead in terms of satisfying the needs of an organic chemist.

    -canakas
    Last edited by canakas; January 31st, 2009 at 01:01 PM. Reason: spl

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