M'nkhani yotsatira tiwona iRASPA. Izi ndizo mkonzi waulere ndi wowonera waulere ya Gnu / Linux, MacOS ndi Windows yomwe imatulutsidwa pansi pa chiphaso cha MIT. Imathandizira zitsulo, ma oxide azitsulo, ziwiya zadothi, ma biomaterials, zeolites, dongo, zitsulo za organiclo, ndi zina zambiri. Muli zopitilira 8000 kuchokera ku database ya CoRE Metal-Organic Frameworks. Ngati mumagwira ntchito zama chemistry kapena madera ena omwe amakhudzana ndi mamolekyulu, pulogalamuyi itha kukhala yothandiza kwa inu. M'mizere yotsatirayi tiwona momwe tingakhalire iRASPA molecular viewer ku Ubuntu kudzera pa Snap.
Ndi phukusi lowonera, lokhala ndi kuthekera kosintha, lolunjika pa sayansi ya zida. Kuphatikiza apo, ndi pulogalamuyi titha kugwiritsa ntchito nyumba zazikulu (ma atomu mazana masauzande), kuphatikiza kutsekedwa kwachilengedwe, okhala ndi ziwonetsero zambiri. Pulogalamuyi gwiritsani ntchito njira zamakono zowonetsera ndikugwira bwino ntchito.
Ndi iRASPA titha kupanga ndikusintha nyumba, zithunzi ndi makanema. Zimabweranso ndi kutsekemera kozungulira, kutulutsa kwamphamvu kwambiri, mawonekedwe akubwezeretsa, kutanthauzira mawu, kuyimilira kwama cell, ndi ma cell apamwamba. Imathandizira ma cylinders, ma spheres ndi ma polygonal prism ndi magwiridwe antchito. Mafomu othandizira athandizidwa ndi awa; CIF, mmCIF, PDB, XYZ ndi VASP POSCAR / CONTCAR / XDATCAR. The amapereka linanena bungwe akamagwiritsa ndi; CIF-, 8/16 bit, RGB / CMYK, yopanda pake ya TIFF yazithunzi ndi mp4 (h264) yamavidiyo.
Pulogalamuyi yakhala ikuchitika wopangidwa ndi David Dubbeldam (Yunivesite ya Amsterdam, Netherlands), Sofiya Calero (Yunivesite ya Pablo de Olavide, Seville, Spain) ndi Thijs Vlugt (Delft University of Technology, The Netherlands). Awerengeranso zopereka za Randall Q. Snurr (Yunivesite ya Northwestern, Evanston, USA.) ndi Chung G. Yongchul (Sukulu Yopanga Zamakina ndi Biomolecular, Busan, South Korea). Ntchitoyi yalembedwa mu Swift 4.
Makhalidwe ambiri a IRASPA
Zina mwazinthu zazikulu za iRASPA ndi:
- Kudzera iCloud, iRASPA imatha kupeza nkhokwe ya CoRE Metal-Organic Frameworks yomwe ili ndi nyumba 4764 ndi nyumba 2932 zomwe zimalimbikitsidwa ndi ma atomiki.
- Nyumba zonse zitha kusefedwa (munthawi yeniyeni) pogwiritsa ntchito magawo osankhidwa ndi ogwiritsa ntchito.
- La zenera lalikulu ndiye mawonekedwe anu akulu kuti muwone, kusintha ndikuwongolera magawo onse a ntchito. Imagwiritsa ntchito mawonekedwe mwatsatanetsatane, pomwe amasintha kwa wowonera wamkulu (wowonera polojekiti) kusintha malingaliro ena.
- Pangani ndikusintha nyumba.
- Titha kupanga zithunzi zapamwamba.
- Kutsekedwa kwachilengedwe ndi kutanthauzira kwamphamvu kwambiri.
- Titha kupanga collage ya nyumba.
- Pulogalamuyi itilola kutanthauzira mawu.
- Kuyerekeza kwama cell ndi ma cell apamwamba.
- Zofananira ngati gulu la mlengalenga ndi kachilombo koyambirira.
- Kuwerengera kwa GPU kwamagawo opanda kanthu komanso malo owonekera mu mphindi zochepa.
Izi ndi zina mwazinthu za iRASPA. Iwo akhoza funsani onse mwatsatanetsatane Pulojekiti ya webu wiki.
Ikani iRASPA pa Ubuntu
Kukhazikitsa iRASPA molekyulu wowonera kudzera pa Snap pamakina athu a Ubuntu, tiyenera kukhala ndi kuthandizira ukadaulo uwu. Ngati mulibe ukadaulo uwu m'dongosolo lanu, mutha tsatirani maphunziro omwe aperekedwa mu zosangalatsa kuti mupitilize kukhazikitsa.
Tikangokhazikitsa mapulogalamu pazomwe tikugwiritsa ntchito, titha ikani iRASPA Molecular Visualizer / Editor kudzera pa phukusi loyang'anira phukusi. Kuti tichite izi, tiyenera kutsegula terminal (Ctrl + Alt + T) ndikutsatira lamulo ili:
sudo snap install iraspa
Ngati nthawi iliyonse mukufuna sinthani pulogalamuyi, zitha kuchitika poyendetsa mu terminal:
sudo snap refresh iraspa
Titha kuyambitsa pulogalamuyi kuchokera pa menyu ya Applications / Board / Activities kapena china chilichonse chokhazikitsa pulogalamu yoyikidwa pamakompyuta athu. Ifenso tikhoza Yambitsani iRASPA Molecular Visualizer / Editor mu Ubuntu pogwiritsa ntchito lamuloli mu terminal (Ctrl + Alt + T):
iraspa
Sulani
Para yochotsa wowonera iRASPA kudzera pa chithunzithunzi, tiyenera kungotsegula ma terminal (Ctrl + Alt + T) kenako ndikutsatira lamulo ili:
sudo snap remove iraspa
Ogwiritsa ntchito athe Pezani zambiri za pulogalamuyi kuchokera tsamba la projekiti.
Khalani oyamba kuyankha