Muchinyorwa chinotevera isu ticha tarisa kune Avogadro. Ichi chi yemahara, yakavhurwa sosi, mamorekuru ekugadzirisa kunyorera kweGnu / Linux, Windows uye MacOS. Ichi chirongwa chinogona kushandiswa mu computational kemesitiri, molecular modelling, bioinformatics, zvishandiso sainzi, uye mamwe akawanda masango.
Iko kushandiswa kunoshandiswa mu VTK yekuongorora uye kuona kugona. Iyo zvakare inotsigira vhoriyamu inomiririra yeinongedzo data kana kuyerera mitsara ye vector minda. Iyo inopa inochinjika, yemhando yepamusoro kupa uye ine plug-in yekuvaka. Ndezve software yakapusa uye iri nyore kushandisa, yakagadzirira kushandiswa nevadzidzi nevatsvakurudzi. Avogadro ndeye yemahara software yaunogona kugovera patsva uye / kana kugadzirisa pasi pemitemo yeGNU General Public License, yakaburitswa neFree Software Foundation, ingave vhezheni 2 yeRisense kana chero vhezheni yemberi.
Kusiyana nedzimwe webhu-based 2D / 3D mamorekuru vanoona, Avogadro inoshandisa OpenGL zvakananga uye inopa yemuno desktop desktop mapakeji. Ichi chishandiso chinoshandisa seti yematanho inobvumidza zvirongwa zvemakomputa kushandisa Hardware 2D / 3D kupa mabasaGPU). Avogadro inotsigira kunze-kwe-kwebhokisi kuwanda kwakapetwa kuverenga uye kugadzirisa, ine maturakiti ekushandisa, mirairo, uye mutsika Python zvinyorwa.
Hunhu hwese hweAvogadro
- Ndicho multiplatform chirongwa, saka tinogona kuishandisa muGnu / Linux, Windows uye Mac OSX.
- Icho chiri pamusoro chirongwa chakareruka ichipa kuita kwakakwira.
- Kunyangwe zvese zvainopa, ine zvimwe mashoma zvigadzirwa zvemahara.
- Chirongwa chiri rakashandurwa mumitauro yakasiyana, sezvavari; Chinese, French, German, Italian, Russian, Spanish, nevamwewo.
- Maitiro aro akajeka uye nyore kushandisa.
- Inosanganisira hombe seti ye maturusi ekuyera, kuenderana, kuona, kukanganisa uye kudhirowa.
- Izvo zvichatipawo isu ekuwedzera akaunganidzwa pamwe nemaneja wekuwedzera.
- Inotitendera kupinza kubva kune akasiyana maficha.
- Inotsigira mafomu mazhinji akavhurika.
- Tichakwanisa bvunza tafura ye periodic.
- Tinogona kuvaka 2D uye 3D mamorekuru mamodheru.
- Inokutendera iwe kuisa, kuvaka uye kugadzirisa akafanorongwa mamodule (DNA, RNA, Fragment, ZVINOSIMBIRIRA, Peptide, Polymer).
- Kufungidzira kwema electrostatic anogona mepu.
- Kushandiswa kwe kuongororwa kwemaatomu mumamorekuru (Bader): QTAIM uye WFN.
- Mamolekemu-epasi kusangana.
- Tinogona shandisa, kuyera uye kuenzanisa nematurusi. Tinogonawo kuvimba sarudzo, auto-tenderera, uye auto-gonesa maturusi.
- Chikwata che Avogadro inopa vese vashandisi seti ye tutorials saka vagadziri vanogona kubatsira, kuumbiridza kubva kunobva uye nekupa yako ekuwedzera. Ivo zvakare vanoburitsa yakajeka API zvinyorwa.
Isa Avogadro pane Ubuntu
Avogadro iri inowanikwa se flatpak kurongedza yeUbuntu system. Tisati taisa chirongwa ichi, isu tinofanirwa kuve neiyi tekinoroji inogoneswa mune yedu system. Kana iwe uchiri usinayo uye ukashandisa Ubuntu 20.04, unogona kuenderera Mutungamiri kuti mumwe waunoshanda akanyora pane ino blog nguva yadarika.
Paunenge uchitova neiyi tekinoroji inogoneswa pane yako system, unogona kuenderera nekumisikidza. Iwe unongofanirwa kuvhura terminal (Ctrl + Alt + T) uye unomhanya unotevera kuraira mairi kuenda ku gadza Avogadro:
flatpak install flathub org.openchemistry.Avogadro2
Mushure mekumisikidzwa, unogona mhanyisa chirongwa kutsvaga chirongo pane yedu timu. Iwe unogona zvakare kuvhura iyo Avogadro mamorekuru edhita uchishandisa unotevera kuraira mune iyo terminal:
flatpak run org.openchemistry.Avogadro2
Uninstall
Para bvisa chirongwa ichi, isu tinongoda kuvhura terminal (Ctrl + Alt + T) uye nekuita rairo mairi:
flatpak uninstall org.openchemistry.Avogadro2
Avogadro ndeye yepamusoro mamorekuru muoni uye mupepeti, iyo yakagadzirirwa kuyambuka-chikuva kushandiswa muminda senge computational chemistry, mamorekuru modelling, bioinformatics, zvishandiso sainzi, uye nzvimbo dzakabatana. Chii chimwe inopa inochinjika mhando kupa neyakavakirwa plugin yekuvakisa.
Iyi software yakavhurwa sosi purojekiti, iyo inotarisira kushandiswa pasi rese pasina zvirambidzo nevose vanogadzira, vaongorori uye vadzidzi vanoda. Zvinogona tora rumwe ruzivo nezvechirongwa ichi pa purojekiti webhusaiti kana kubva kune yako peji pane GitHub.