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ghemical_3.0.0-5+b2_ppc64el.deb
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مشاهده بیشترتوضیحات
GNOME molecular modelling environment
| ویژگی | مقدار |
|---|---|
| سیستم عامل | Linux |
| توزیع | Debian Bookworm-12 |
| مخزن | Debian main ppc64el |
| نام بسته | ghemical |
| نام فایل بسته | ghemical_3.0.0-5+b2_ppc64el.deb |
| نسخه بسته | 3.0.0 |
| انتشار بسته | 5+b2 |
| معماری بسته | ppc64el |
| نگهدارنده | Debichem Team <debichem-devel@lists.alioth.debian.org> |
| تاریخ ساخت | - |
| هاست سازنده | - |
| نوع بسته | .deb |
| آدرس صفحه اصلی | http://bioinformatics.org/ghemical/ghemical/ |
| مجوز | - |
| حجم دانلود | 1818944 |
| حجم نصب | 2875 |
Ghemical is a computational chemistry software package written in C++.
It has a graphical user interface and it supports both quantum-
mechanics (semi-empirical) models and molecular mechanics models.
Geometry optimization, molecular dynamics and a large set of
visualization tools using OpenGL are currently available.
.
Ghemical relies on external code to provide the quantum-mechanical
calculations. Semi-empirical methods MNDO, MINDO/3, AM1 and PM3 come
from the MOPAC7 package (Public Domain), and are included in the
package. The MPQC package is used to provide ab initio methods: the
methods based on Hartree-Fock theory are currently supported with
basis sets ranging from STO-3G to 6-31G**.
جایگزین ها
| بسته | نسخه | معماری | مخزن |
|---|---|---|---|
| ghemical_3.0.0-5+b2_amd64.deb | 3.0.0 | amd64 | Debian main |
| ghemical_3.0.0-5+b2_arm64.deb | 3.0.0 | arm64 | Debian main |
| ghemical_3.0.0-5+b2_armel.deb | 3.0.0 | armel | Debian main |
| ghemical_3.0.0-5+b2_armhf.deb | 3.0.0 | armhf | Debian main |
| ghemical_3.0.0-5+b2_i386.deb | 3.0.0 | i386 | Debian main |
| ghemical_3.0.0-5+b2_mips64el.deb | 3.0.0 | mips64el | Debian main |
| ghemical_3.0.0-5+b2_mipsel.deb | 3.0.0 | mipsel | Debian main |
| ghemical_3.0.0-5+b2_s390x.deb | 3.0.0 | s390x | Debian main |
نیازمندی
| مقدار | نام |
|---|---|
| - | mpqc |
| >= 2.17 | libc6 |
| >= 3.0 | libgcc-s1 |
| >= 2.22.0 | libgdk-pixbuf-2.0-0 |
| >= 3.0.0 | libghemical5v5 |
| - | libgl1 |
| >= 1:2.6.4-2~ | libglade2-0 |
| >= 2.31.8 | libglib2.0-0 |
| - | libglu1-mesa | libglu1 |
| >= 2.8.0 | libgtk2.0-0 |
| - | libgtkglext1 |
| - | liboglappth2 |
| >= 3.1.1+dfsg | libopenbabel7 |
| >= 1.14.0 | libpango-1.0-0 |
| >= 9 | libstdc++6 |
نحوه نصب
نصب پکیج deb ghemical:
sudo apt-get install ghemical_3.0.0-5+b2_ppc64el.deb
فایل ها
| مسیرها |
|---|
| ./usr/bin/ghemical |
| ./usr/share/applications/ghemical.desktop |
| ./usr/share/doc/ghemical/AUTHORS |
| ./usr/share/doc/ghemical/README.Debian |
| ./usr/share/doc/ghemical/changelog.Debian.gz |
| ./usr/share/doc/ghemical/changelog.Debian.ppc64el.gz |
| ./usr/share/doc/ghemical/changelog.gz |
| ./usr/share/doc/ghemical/copyright |
| ./usr/share/doc/ghemical/examples/2-chlorobutane.gpr |
| ./usr/share/doc/ghemical/examples/3-phenylpropanal.gpr |
| ./usr/share/doc/ghemical/examples/PeriodicTable.gpr |
| ./usr/share/doc/ghemical/examples/acetylsalicylic_acid.gpr |
| ./usr/share/doc/ghemical/examples/alpha-pinene.gpr |
| ./usr/share/doc/ghemical/examples/bromobenzene.gpr |
| ./usr/share/doc/ghemical/examples/camphor.gpr |
| ./usr/share/doc/ghemical/examples/cinnamaldehyde.gpr |
| ./usr/share/doc/ghemical/examples/cis-2-pentene.gpr |
| ./usr/share/doc/ghemical/examples/cyclohexane.gpr |
| ./usr/share/doc/ghemical/examples/dna_AGTC.gpr.gz |
| ./usr/share/doc/ghemical/examples/naphtalene.gpr |
| ./usr/share/doc/ghemical/examples/rna_aguc.gpr.gz |
| ./usr/share/doc/ghemical/examples/transition_state_search/E2-reaction/products.gpr |
| ./usr/share/doc/ghemical/examples/transition_state_search/E2-reaction/reactants.gpr |
| ./usr/share/doc/ghemical/examples/transition_state_search/E2-reaction/ts.gpr |
| ./usr/share/doc/ghemical/examples/transition_state_search/SN2-reaction/products.gpr |
| ./usr/share/doc/ghemical/examples/transition_state_search/SN2-reaction/reactants.gpr |
| ./usr/share/doc/ghemical/examples/transition_state_search/SN2-reaction/ts.gpr |
| ./usr/share/doc/ghemical/examples/transition_state_search/carbocation_rearrangement_hydride_shift/products.gpr |
| ./usr/share/doc/ghemical/examples/transition_state_search/carbocation_rearrangement_hydride_shift/reactants.gpr |
| ./usr/share/doc/ghemical/examples/transition_state_search/carbocation_rearrangement_hydride_shift/ts.gpr |
| ./usr/share/doc/ghemical/examples/transition_state_search/carbocation_rearrangement_methide_shift/products.gpr |
| ./usr/share/doc/ghemical/examples/transition_state_search/carbocation_rearrangement_methide_shift/reactants.gpr |
| ./usr/share/doc/ghemical/examples/transition_state_search/carbocation_rearrangement_methide_shift/ts.gpr |
| ./usr/share/doc/ghemical/examples/transition_state_search/cycloaddition_Diels-Alder/products.gpr |
| ./usr/share/doc/ghemical/examples/transition_state_search/cycloaddition_Diels-Alder/reactants.gpr |
| ./usr/share/doc/ghemical/examples/transition_state_search/cycloaddition_Diels-Alder/ts.gpr |
| ./usr/share/doc/ghemical/examples/transition_state_search/sigmatropic_rearrangement_Cope/products.gpr |
| ./usr/share/doc/ghemical/examples/transition_state_search/sigmatropic_rearrangement_Cope/reactants.gpr |
| ./usr/share/doc/ghemical/examples/transition_state_search/sigmatropic_rearrangement_Cope/ts.gpr |
| ./usr/share/doc/ghemical/examples/transition_state_search/tautomeric_shift_keto_enol/products.gpr |
| ./usr/share/doc/ghemical/examples/transition_state_search/tautomeric_shift_keto_enol/reactants.gpr |
| ./usr/share/doc/ghemical/examples/transition_state_search/tautomeric_shift_keto_enol/ts.gpr |
| ./usr/share/ghemical/3.0.0/glade/gtk_file_export_dialog.glade |
| ./usr/share/ghemical/3.0.0/glade/gtk_file_import_dialog.glade |
| ./usr/share/ghemical/3.0.0/glade/gtk_geomopt_dialog.glade |
| ./usr/share/ghemical/3.0.0/glade/gtk_moldyn_dialog.glade |
| ./usr/share/ghemical/3.0.0/glade/gtk_progress_dialog.glade |
| ./usr/share/ghemical/3.0.0/glade/gtk_setup_dialog.glade |
| ./usr/share/ghemical/3.0.0/glade/gtk_stereo_dialog.glade |
| ./usr/share/ghemical/3.0.0/glade/gtk_trajview_dialog.glade |
| ... and 114 more |