WRAP 'N' SHAKE
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If you use Wrap 'n' Shake, please cite

    M Balint, N Jeszenoi, I Horvath, D van der Spoel, C Hetenyi (2017)
    Systematic exploration of multiple drug binding sites
    Journal of Cheminformatics 9:65

Contact

  • Mónika Bálint
  • Csaba Hetényi, PhD
    • Department of Pharmacology and Pharmacotherapy, University of Pécs, Hungary

Links to program packages tested for compatibility

  • AutoDock 4.2.3
  • GROMACS

Disclaimer

    WRAP 'N' SHAKE (REFERRED TO AS WNS IN THE FORTHCOMING TEXT) IS A FREE SOFTWARE: YOU CAN REDISTRIBUTE IT AND/OR MODIFY IT UNDER THE TERMS OF THE GNU GENERAL PUBLIC LICENSE AS PUBLISHED BY THE FREE SOFTWARE FOUNDATION, EITHER VERSION 3 OF THE LICENSE, OR (AT YOUR OPTION) ANY LATER VERSION. WNS IS DISTRIBUTED IN THE HOPE THAT IT WILL BE USEFUL, BUT WITHOUT ANY WARRANTY; WITHOUT EVEN THE IMPLIED WARRANTY OF MERCHANTABILITY OR FITNESS FOR A PARTICULAR PURPOSE. SEE THE GNU GENERAL PUBLIC LICENSE FOR MORE DETAILS. YOU SHOULD HAVE RECEIVED A COPY OF THE GNU GENERAL PUBLIC LICENSE ALONG WITH WNS. IF NOT, SEE HERE. THERE IS NO WARRANTY FOR WNS, TO THE EXTENT PERMITTED BY APPLICABLE LAW. EXCEPT WHEN OTHERWISE STATED IN WRITING THE COPYRIGHT HOLDERS AND/OR OTHER PARTIES PROVIDE WNS “AS IS” WITHOUT WARRANTY OF ANY KIND, EITHER EXPRESSED OR IMPLIED, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE. THE ENTIRE RISK AS TO THE QUALITY AND PERFORMANCE OF THE PROGRAM IS WITH YOU. SHOULD THE PROGRAM PROVE DEFECTIVE, YOU ASSUME THE COST OF ALL NECESSARY SERVICING, REPAIR OR CORRECTION. LIMITATION OF LIABILITY. IN NO EVENT UNLESS REQUIRED BY APPLICABLE LAW OR AGREED TO IN WRITING WILL ANY COPYRIGHT HOLDER, OR ANY OTHER PARTY WHO MODIFIES AND/OR CONVEYS THE PROGRAM AS PERMITTED ABOVE, BE LIABLE TO YOU FOR DAMAGES, INCLUDING ANY GENERAL, SPECIAL, INCIDENTAL OR CONSEQUENTIAL DAMAGES ARISING OUT OF THE USE OR INABILITY TO USE WNS (INCLUDING BUT NOT LIMITED TO LOSS OF DATA OR DATA BEING RENDERED INACCURATE OR LOSSES SUSTAINED BY YOU OR THIRD PARTIES OR A FAILURE OF WNS TO OPERATE WITH ANY OTHER PROGRAMS), EVEN IF SUCH HOLDER OR OTHER PARTY HAS BEEN ADVISED OF THE POSSIBILITY OF SUCH DAMAGES. DISCLAIMER ON THE DOCUMENTATION AND WEB SITE OF WNS. IN NO WAY CAN ANY RIGHTS BE DERIVED FROM, OR CLAIMS MADE, WITH REGARD TO THE CONTENT OF THIS WEBSITE AND THE DOCUMENTATION THEREIN. ALTHOUGH THE GREATEST POSSIBLE CARE HAS BEEN TAKEN WITH THE COMPILATION OF THE CONTENT OF THIS WEBSITE AND DOCUMENTATION, IT IS POSSIBLE THAT CERTAIN INFORMATION MAY (AFTER A WHILE) BE OUT-OF-DATE OR (NO LONGER) BE CORRECT. WE ARE NOT RESPONSIBLE FOR EVENTUAL DAMAGES ARISING FROM THE USE OF INFORMATION FROM THIS SITE. WE HEREBY REJECT ALL RESPONSIBILITY FOR DAMAGES AS A RESULT OF THE USE OF THIS INFORMATION OR INFORMATION TO WHICH LINKS REFER ON THIS SITE (THESE SITES). THE INFORMATION ON THIS SITE MAY BE CHANGED WITHOUT PRIOR WARNING. WE DO NOT GIVE GUARANTEES WITH REGARD TO THE NATURE AND THE CONTENT OF THIS SITE. ALL RESPONSIBILITY FOR POSSIBLE DAMAGES DUE TO ACCESS TO AND USE OF THE SITE IS EXPLICITLY REJECTED BY US. WE DO NOT ACCEPT ANY RESPONSIBILITY WITH REGARD TO THE CONTENT, ADVERTISEMENTS, PRODUCTS, OR OTHER ISSUES ON SUCH SITES OR SOURCES OR AVAILABILITY. WE ARE NOT RESPONSIBLE FOR ANY KIND OF DAMAGE OR LOSS CAUSED BY OR IN CONNECTION WITH THE USE OF, OR BY RELYING ON THE CONTENT, PRODUCTS OR SERVICES OFFERED ON SUCH SITES OR SOURCES. COPYRIGHT (C) MONIKA BALINT AND CSABA HETENYI, 2017.