| Name | sf-convert JSON |
| Version |
2.1.11
JSON |
| download |
| home_page | None |
| Summary | Package for sf_convert |
| upload_time | 2024-12-10 21:34:50 |
| maintainer | None |
| docs_url | None |
| author | None |
| requires_python | >=3.6 |
| license | apache-2.0 |
| keywords |
|
| VCS |
|
| bugtrack_url |
|
| requirements |
No requirements were recorded.
|
| Travis-CI |
No Travis.
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| coveralls test coverage |
No coveralls.
|
# mmCIF File Script
This Python script provides command line interface to read, write, and manipulate mmCIF files using the `py-mmcif` library.
## Installation
You need Python 3.6 or later to run this script. The `py-mmcif` library can be installed via pip:
```bash
pip install py-mmcif
```
## Usage
Run the script with the `-h` or `--help` option to view the help message:
```bash
python sffile.py --help
```
Here are the available command line arguments:
- `-r` or `--read`: Read from an mmCIF file. Provide the filename as an argument.
Example: `python sffile.py --read myfile.cif`
- `-w` or `--write`: Write to an mmCIF file. Provide the filename as an argument.
Example: `python sffile.py --write myfile.cif`
- `-b` or `--block`: Get a block by its name. Provide the block name as an argument.
Example: `python sffile.py --read myfile.cif --block myblock`
- `-o` or `--object`: Get an object from a block by its category. Provide the block name and category as arguments.
Example: `python sffile.py --read myfile.cif --object myblock mycategory`
- `-d` or `--default`: Set a block as the default block. Provide the block name as an argument.
Example: `python sffile.py --read myfile.cif --default myblock`
- `-g` or `--get`: Get an object from the default block by its category. Provide the category as an argument.
Example: `python sffile.py --read myfile.cif --default myblock --get mycategory`
- `-ob` or `--objblock`: Get an object from a block. This is similar to the `--object` argument. Provide the block name and category as arguments.
Example: `python sffile.py --read myfile.cif --objblock myblock mycategory`
- `-l` or `--list`: List the names of all blocks in the file.
Example: `python sffile.py --read myfile.cif --list`
- `-c` or `--categories`: List all categories in a block. Provide the block name as an argument.
Example: `python sffile.py --read myfile.cif --categories myblock`
You can also combine these arguments. For example, you can read from a file, list the blocks, get an object from a block, and then write to a file:
```bash
python sffile.py --read myfile.cif --list --object myblock mycategory --write myfile.cif
```
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"description": "# mmCIF File Script\n\nThis Python script provides command line interface to read, write, and manipulate mmCIF files using the `py-mmcif` library. \n\n## Installation\n\nYou need Python 3.6 or later to run this script. The `py-mmcif` library can be installed via pip:\n\n```bash\npip install py-mmcif\n```\n\n## Usage\n\nRun the script with the `-h` or `--help` option to view the help message:\n\n```bash\npython sffile.py --help\n```\n\nHere are the available command line arguments:\n\n- `-r` or `--read`: Read from an mmCIF file. Provide the filename as an argument. \n Example: `python sffile.py --read myfile.cif`\n- `-w` or `--write`: Write to an mmCIF file. Provide the filename as an argument. \n Example: `python sffile.py --write myfile.cif`\n- `-b` or `--block`: Get a block by its name. Provide the block name as an argument.\n Example: `python sffile.py --read myfile.cif --block myblock`\n- `-o` or `--object`: Get an object from a block by its category. Provide the block name and category as arguments.\n Example: `python sffile.py --read myfile.cif --object myblock mycategory`\n- `-d` or `--default`: Set a block as the default block. Provide the block name as an argument.\n Example: `python sffile.py --read myfile.cif --default myblock`\n- `-g` or `--get`: Get an object from the default block by its category. Provide the category as an argument.\n Example: `python sffile.py --read myfile.cif --default myblock --get mycategory`\n- `-ob` or `--objblock`: Get an object from a block. This is similar to the `--object` argument. Provide the block name and category as arguments.\n Example: `python sffile.py --read myfile.cif --objblock myblock mycategory`\n- `-l` or `--list`: List the names of all blocks in the file.\n Example: `python sffile.py --read myfile.cif --list`\n- `-c` or `--categories`: List all categories in a block. Provide the block name as an argument.\n Example: `python sffile.py --read myfile.cif --categories myblock`\n\nYou can also combine these arguments. For example, you can read from a file, list the blocks, get an object from a block, and then write to a file:\n\n```bash\npython sffile.py --read myfile.cif --list --object myblock mycategory --write myfile.cif\n```\n",
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