MBN Explorer

MBN Explorer
software
Bayanai
Amfani	molecular dynamics simulation (en)
Programmed in (en)	C++ (mul)

Samfuri:Infobox softwareMBN Explorer (MesoBioNano Explorer) wani fakitin software ne don kwaikwayon kuzarin kwayoyin halitta, haɓaka tsari da kwaikwayon Monte Carlo. An ƙera shi don ƙididdige ƙididdigar ƙididdiga da yawa na tsari da juzu'i na tarin atomic da nanoparticles, biomolecules da nanosystems, kayan nanostructured, jihohi daban -daban na abubuwa da musaya daban -daban. Cibiyar Bincike ta MBN ce ta haɓaka software.

Tarihi

MBN Explorer ya gaji ƙwarewar da aka samu akan haɓaka fakitin software Cluster Searcher. Ya fara ne a kusa da Shekara ta 2000 azaman lambar juzu'in ƙwayoyin cuta na gargajiya don daidaita tsarin jikin da yawa da ke hulɗa ta hanyar Morse da damar Lennard-Jones. An gabatar da dama iri -iri tsakanin juna da yuwuwar hada gungun atoms a cikin tsayayyun tubalan a cikin shekara ta 2005 zuwa shekara ta 2007. An fito da sigar farko ta MBN Explorer a cikin shekara ta 2012 azaman lambar kwamfuta iri -iri da ke ba da damar ƙira tsarin kwayoyin daban daban na rikitarwa.

Siffofin

MBN Explorer yana ba da izinin bayanin tsarin tsarin kwayoyin halitta ta hanyar tsarin Monte Carlo na kinetic da kuma tasirin kwayoyin da ke haifar da irradiation. Ta hanyar hanyar Monte Carlo, software tana ba da damar kwaikwayon hanyoyin watsawa-keɓewa waɗanda ke haɗa da tsarin ƙwayoyin cuta a kan sikelin lokacin da ya fi girma wanda za a iya isa a cikin kwaikwayon ƙwayoyin ƙwayoyin cuta na al'ada. Software yana ba da damar haɗa nau'ikan nau'ikan hanyoyin haɗin gwiwa don ƙayyade hulɗa fiye da ɗaya zuwa takamaiman atom ko ƙungiyar atom.

MBN Explorer yana goyan bayan madaidaiciyar siginar yanayin atomic, kamar XYZ (tsarin rubutu), DCD (tsarin binary) da DCD+XYZ (tsarin matasan). Hakanan yana goyan bayan Bankin Bayanai na Protein (pdb) don bayanin fasalin fasali uku na biomolecules.

Ci -gaba fasali na shirin sun haɗa da:

• m m graining da yiwuwar simulate kuzarin kawo cikas na m jikin ,
• yuwuwar yin kwatankwacin kwatankwacin kwatancen kwayoyin halitta na ƙananan abubuwan da ke da alaƙa a cikin kafofin watsa labarai na crystalline,
• simulation na irradiation-ya haifar da canjin sunadarai ta hanyar tasirin kwayoyin da ke haifar da iska.

Studio na MBN

An haɗa MBN Explorer tare da MBN Studio - shirye -shiryen ayyuka da yawa don ƙirar ƙira da ƙira, kazalika don gani da nazarin sakamakon kwaikwayon da aka yi tare da MBN Explorer. Za'a iya amfani da ƙirar ƙirar ƙirar ƙirar don gina keɓaɓɓun abubuwan da ke haifar da ƙwayoyin cuta, kayan ƙoshin ƙwayoyin cuta, nanotubes na carbon da zanen graphene, nanoparticles da samfuran crystalline.

Ayyuka da haɗin gwiwa

An yi amfani da MBN Explorer a cikin ayyukan bincike daban -daban a fannonin kimiyyar kayan, fasahar nanotechnology da lalacewar radiation:

• ARGENT - Ciwon Rediyo na Ci gaba, Wanda aka Haɓaka ta Amfani da Nanoprocesses da Fasaha
  
  
  
  </br> Wannan aikin cibiyar sadarwa ne da ya ƙunshi ƙungiyoyin bincike daban -daban, abokan haɗin gwiwa na ilimi da masana'antu. Shirin Tsarin Tsarin Bakwai ne (FP7) na Tarayyar Turai ke ba da kuɗin.
• PEARL - Kiristocin da ake lanƙwasa lokaci -lokaci don Undulators na Crystalline
  
  
  
  </br> Wannan aikin kasa da kasa ne wanda Shirin Horizon shekara ta 2020 (shekara ta H2020) na EU ke tallafawa.
• Nano-IBCT-Nanoscale Insights zuwa Ion-Beam Cancer Therapy
• VINAT - Nazarin ka'idar, ƙira da gwajin kama -da -wane na daidaituwa da kaddarorin kayan aikin nanomaterials na tushen titanium

Duba kuma

• Kwatanta software don ƙirar injiniyoyin ƙwayoyin cuta
• Jerin software don ƙirar nanostructures
• NAMD
• GROMACS
• LAMBU

 

Hanyoyin waje

• Yanar gizo Cibiyar Binciken MBN