genice-cif
A GenIce plugin to import CIF file.
(version 0.2.1)
Requirements
% make prepare
will install required packages via pip.
- cif2ice>=0.2.2
- GenIce>=0.25
Installation
System-wide installation
Install via pip.
% pip install genice_cif
Private installation
Not supported.
Usage
-
To convert a local cif file to Gromacs format,
% genice cif[RHO.cif] > RHO.gro
-
Some zeolites share the network topology with low-density ices. If you want to retrieve a zeolite ITT structure from IZA structure database to prepare a low-density ice, try the following command:
% genice zeolite[ITT] > ITT.gro
Test in place
% make test
1 maintainer
Metadata
1 maintainer
Release files for genice-cif 0.2.1
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| genice_cif-0.2.1.tar.gz | 3.4 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| genice_cif-0.2.1-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 9.2 kB
Release files / genice_cif-0.2.1.tar.gz
| Download URL | genice_cif-0.2.1.tar.gz |
|---|---|
| Size | 3.4 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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twine/1.13.0 pkginfo/1.5.0.1 requests/2.21.0 setuptools/40.8.0 requests-toolbelt/0.9.1 tqdm/4.31.1 CPython/3.6.5
|
Release files / genice_cif-0.2.1-py3-none-any.whl
| Download URL | genice_cif-0.2.1-py3-none-any.whl |
|---|---|
| Size | 5.8 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
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Uploaded using Trusted Publishing? What is trusted publishing? |
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twine/1.13.0 pkginfo/1.5.0.1 requests/2.21.0 setuptools/40.8.0 requests-toolbelt/0.9.1 tqdm/4.31.1 CPython/3.6.5
|
