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Rotaxane

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Uploaded by on May 23, 2007

Molecular dynamics of a rotaxane system. A macrocycle molecule can shift along a dumbbell-shaped molecule.

Molecular modeling and simulation using Biodesigner software.

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  • hello,

    i tryed to download Biodesigner software

    bud I didn't find any such a interactive molecular dinamics feature.

    Can somebody please coment thiss?

    I'm very currious about similar software for preparation of input molecular geometry for my computations

    Thank's

  • This is done using a new version of Biodesigner scheduled for release later this year. The old version on the website is very outdated. There are other free modeling programs I can recommend: NanoEngineer-1, Avogadro.

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  • Your version od Biodesigner looks like briliant fusion of capable interactive molecular dynamics and cleaning with simplicity and quick user eviroment. It would be great to run on linux.

  • OK, I'm looking forward to release :)

    The NanoEngineer-1 is not released yet as well as I know. I tryed Avogadro bud didn't intrigue me.

    The most similar capabilitis of interactive molecular dynamics and optimisation has PyMOL as far I tryed. Interactive molecular dynamics is possible in VMD+NAMD, bud it's time consuming to setup. My favorite and most used aplication for input geometry preparation is Arguslab, which is however old and windows-only.

  • Is this biodesigner 0.75 programed by Piotr Rotkiewicz?

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    Molecular dynamics of a rotaxane system. A macrocycle molecule can shift along a dumbbell-shaped molecule.

    Molecular modeling and simulation using Biodesigner software. Biodesigner.

  • Cool... what's the name of the software that you are using?

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