bubblebuster

Bubblebuster is a Python Library for detecting water box bubbles in structural files used in molecular simulations, by partitioning the system’s periodic box into a cubic grid. The atom density of each cube is compared against the periodic box’s atom density. If any cube has a density less than the periodic box atom density multiplied by the cutoff parameter (default is 0.5), the water box is deemed to likely have a bubble. The size of the cubes, along with the cutoff value, can be customized according to the system. However, this must be done with caution as a cutoff value that is to large/small can yield false positives/negatives.

Release files for bubblebuster 2.1

For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.

Source distribution (sdist)

Source distribution for bubblebuster 2.1
File	Size	Uploaded
bubblebuster-2.1.tar.gz	78.7 kB	Feb 4, 2022	Details

Built distributions (wheels)

Table of built distributions (wheels) for bubblebuster 2.1
File	Interpreter	ABI	Platform	Reset
bubblebuster-2.1-cp310-cp310-manylinux_2_5_x86_64.manylinux1_x86_64.whl 411.8 kB Feb 4, 2022	CPython 3.10	CPython 3.10	Linux glibc 2.5+ x86-64	Details
bubblebuster-2.1-cp39-cp39-manylinux_2_5_x86_64.manylinux1_x86_64.whl 92.9 kB Feb 4, 2022	CPython 3.9	CPython 3.9	Linux glibc 2.5+ x86-64	Details
bubblebuster-2.1-cp38-cp38-manylinux_2_5_x86_64.manylinux1_x86_64.whl 449.1 kB Feb 4, 2022	CPython 3.8	CPython 3.8	Linux glibc 2.5+ x86-64	Details

Total release size: 1.0 MB

Release files / bubblebuster-2.1.tar.gz

Download URL	bubblebuster-2.1.tar.gz
Size	78.7 kB
Tags	Source
SHA-256 checksum How to use checksums	`083a98d74f4be43f72d65afa705a78ee3e5958fe3cf23415163e7f08b57aac78`
BLAKE2b-256 checksum How to use checksums	`e63412f4ebb534bdfc8e793ef584839ee949304d76d366e707097746b0d10715`
Upload date	Feb 4, 2022
Uploaded using Trusted Publishing? What is trusted publishing?	No
Uploaded via	`twine/3.1.1 pkginfo/1.4.2 requests/2.22.0 setuptools/45.2.0 requests-toolbelt/0.8.0 tqdm/4.30.0 CPython/3.8.10`

Release files / bubblebuster-2.1-cp310-cp310-manylinux_2_5_x86_64.manylinux1_x86_64.whl

Download URL	bubblebuster-2.1-cp310-cp310-manylinux_2_5_x86_64.manylinux1_x86_64.whl
Size	411.8 kB
Tags	CPython 3.10 Linux glibc 2.5+ x86-64
SHA-256 checksum How to use checksums	`4768ef1eb1c09c9acd016ec6019966de7207a2ff9093722105442fb2e8300bc3`
BLAKE2b-256 checksum How to use checksums	`39183a914b2a0f9d25c722d0b0e274da2c80c5d12ab72f23c4d0917165efa235`
Upload date	Feb 4, 2022
Uploaded using Trusted Publishing? What is trusted publishing?	No
Uploaded via	`twine/3.1.1 pkginfo/1.4.2 requests/2.22.0 setuptools/45.2.0 requests-toolbelt/0.8.0 tqdm/4.30.0 CPython/3.8.10`

Release files / bubblebuster-2.1-cp39-cp39-manylinux_2_5_x86_64.manylinux1_x86_64.whl

Download URL	bubblebuster-2.1-cp39-cp39-manylinux_2_5_x86_64.manylinux1_x86_64.whl
Size	92.9 kB
Tags	CPython 3.9 Linux glibc 2.5+ x86-64
SHA-256 checksum How to use checksums	`8ebb20e95f14bdc0d5103fc246c8eba3dbb7da6768f63e064ec1a511fe682d98`
BLAKE2b-256 checksum How to use checksums	`60fcf12d9d261aefda919d94d6841d41e6ee3418325442ab2dbdfe72f8037f01`
Upload date	Feb 4, 2022
Uploaded using Trusted Publishing? What is trusted publishing?	No
Uploaded via	`twine/3.1.1 pkginfo/1.4.2 requests/2.22.0 setuptools/45.2.0 requests-toolbelt/0.8.0 tqdm/4.30.0 CPython/3.8.10`

Release files / bubblebuster-2.1-cp38-cp38-manylinux_2_5_x86_64.manylinux1_x86_64.whl

Download URL	bubblebuster-2.1-cp38-cp38-manylinux_2_5_x86_64.manylinux1_x86_64.whl
Size	449.1 kB
Tags	CPython 3.8 Linux glibc 2.5+ x86-64
SHA-256 checksum How to use checksums	`3aeb9c1ceb33f7d8d6265fae36630998a9305b200d17ca0b73d5a0fb23076309`
BLAKE2b-256 checksum How to use checksums	`d0282d01a623b86260f864963396f06a99dbb5d2268999a6e1b384f99f99c03a`
Upload date	Feb 4, 2022
Uploaded using Trusted Publishing? What is trusted publishing?	No
Uploaded via	`twine/3.1.1 pkginfo/1.4.2 requests/2.22.0 setuptools/45.2.0 requests-toolbelt/0.8.0 tqdm/4.30.0 CPython/3.8.10`