Wheelodex » Projects » mdtraj

mdtraj

View on PyPI — Reverse Dependencies (48)

1.9.9 mdtraj-1.9.9-cp39-cp39-macosx_10_9_x86_64.whl

Wheel Details

Project: mdtraj
Version: 1.9.9
Filename: mdtraj-1.9.9-cp39-cp39-macosx_10_9_x86_64.whl
Download: [link]
Size: 1539219
MD5: 2c4439e1f7e554e0509edf2d9c29e79d
SHA256: c36b307b7b8a999af4301122e03a6fdf7c11eb248a6dca2341ab64adb1c94a19
Uploaded: 2023-07-22 15:23:17 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: mdtraj
Version: 1.9.9
Summary: MDTraj: A modern, open library for the analysis of molecular dynamics trajectories
Author: Robert McGibbon
Author-Email: rmcgibbo[at]gmail.com
Home-Page: http://mdtraj.org
Download-Url: https://github.com/rmcgibbo/mdtraj/releases/latest
License: LGPLv2.1+
Classifier: Development Status :: 5 - Production/Stable
Classifier: Intended Audience :: Science/Research
Classifier: Intended Audience :: Developers
Classifier: License :: OSI Approved :: GNU Lesser General Public License v2 or later (LGPLv2+)
Classifier: Programming Language :: C
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Operating System :: Microsoft :: Windows
Classifier: Operating System :: POSIX
Classifier: Operating System :: Unix
Classifier: Operating System :: MacOS
Platform: Linux
Platform: Mac OS-X
Platform: Unix
Platform: Windows
Requires-Dist: numpy (>=1.6)
Requires-Dist: scipy
Requires-Dist: astunparse
Requires-Dist: pyparsing
License-File: LICENSE
[Description omitted; length: 452 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.41.0)
Root-Is-Purelib: false
Tag: cp39-cp39-macosx_10_9_x86_64

RECORD

Path Digest Size
mdtraj/__init__.py sha256=z889oR3I-Mns2ciBUynXSPdqeAIpKitQi1TXgvMQfOM 2628
mdtraj/_lprmsd.cpython-39-darwin.so sha256=b7x2hm7AXCXX-JUajutX1mg084fb6SdQHccd47lIkXY 188920
mdtraj/_rmsd.cpython-39-darwin.so sha256=13FuS8gv7PQUEGFUwiJ2KCDXqHODmb939ohfDDY-NA4 323136
mdtraj/io.py sha256=uAdPBXBtlXD20LSVOVaMJc77QzWSSpeQTxWeDOW8PYg 13392
mdtraj/version.py sha256=vH-F9zEBil90XGBctNwKxqApupUlGrr4S-8tzd2GsZI 191
mdtraj/core/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
mdtraj/core/element.py sha256=CievcRpMPzMVNg9ZQ8iZ0y-rScpsAgRez8JLW7qG00k 15631
mdtraj/core/residue_names.py sha256=Ay6NVQeeutzxYKuopqVQFcSp_Tb-mipMnrgHtvqa69U 13043
mdtraj/core/selection.py sha256=3ix96FbirxCTCMz5CkqW2cbJ9HWybeDNoF_3ZEoDtEc 15006
mdtraj/core/topology.py sha256=Vuud_jdufoq2lhpQXqMqu_QSO0bmA6Ge1EEdpRCKR0I 61206
mdtraj/core/trajectory.py sha256=kqo6-AUyiv2VGU-5inZwRS70jg5sewY-aGz9tSs3Rvc 81628
mdtraj/core/lib/center.h sha256=ERKmXfkw82ZrH1YYjpJiK1d6j2s_tc99uR1PxfeKJ5o 250
mdtraj/core/lib/libtheobald.a sha256=qMY-Shns1Txul6UgQRUDBCLv0VRoc6k-613wNCQdEC8 11000
mdtraj/core/lib/theobald_rmsd.h sha256=syU0UAtMWaWexAk4CgQFbI_qac28Kl9Ed8LB0kxOi-A 810
mdtraj/formats/__init__.py sha256=c-8PDmb9dXLEbEodNNnMWBpAywZVCSVULVmf9eIPSy4 695
mdtraj/formats/amberrst.py sha256=lJSxQx6sjQmnTUV0X49OUFb4nywozRcRKDIgtEDW6YY 33372
mdtraj/formats/arc.py sha256=SCqQz-cbtwQxqviqy8uh5FaLdKWStl-65YD-4U2_yPg 13744
mdtraj/formats/binpos.cpython-39-darwin.so sha256=jZ68tr8BNiV5uQCTvt6-40-H9Dxb97ryNDk9_TynOgQ 147024
mdtraj/formats/dcd.cpython-39-darwin.so sha256=O8k8Mc6miQcmB3H9rEpjJleQXUJhCr3Asova3zAVxQo 167152
mdtraj/formats/dtr.cpython-39-darwin.so sha256=ekdHMCWEN5LqdXfUAJpPKexQKfO99LA88-sLCiYbYFM 292144
mdtraj/formats/gro.py sha256=5Tv4ohC8NPtkVzPA-Cwlwam3d0fMEKGm9lYzGKsUoaY 21010
mdtraj/formats/gsd.py sha256=-mWHKxhp55zcMKWWjv8y6nBd5vGDXiDl0gzaFrtigi0 11184
mdtraj/formats/hdf5.py sha256=STjouRPDNCEYmbBVcW-xtjBztzB6-Q7qT9fqpj2YPRQ 40764
mdtraj/formats/hoomdxml.py sha256=XjawP9hi2diIsMNl-VDiF-_Z3y0hhocxPSxOdzPkCRc 5880
mdtraj/formats/lammpstrj.py sha256=cBKeZ7WFpEtAKjIAogor-aEPFtxsMKutfa4jDZhmU4Y 23510
mdtraj/formats/lh5.py sha256=Rbp_oHWEsVnvqtz7hS8PxqLwOa2JGHSxd9kZWRm2tZ4 17956
mdtraj/formats/mdcrd.py sha256=5g8k8Gx8-OcBZH_3Vd9Tcra9zaL8OWTQI_1ZbbMaZY0 18399
mdtraj/formats/mol2.py sha256=wFwhyUk-crMr3K4hIFhdktumg12bLTmEfOwP1yF0m9E 9937
mdtraj/formats/netcdf.py sha256=FsD6Uj9tvaDJjRqj9fYFC2txoUR-iavR98PV9iGPzaA 23226
mdtraj/formats/openmmxml.py sha256=nvVMcfSbKeMKBUnJE6gPeJ54wN1TTO0FqeZ5estXYPA 2835
mdtraj/formats/pdbx.py sha256=kFf1srszwM9xR5dJd1u6O0yPHjXoyj99qquMBxXV_vY 13010
mdtraj/formats/prmtop.py sha256=45TnORrbqw0qeqGxDoiWk6H6ICMdv538RMnmCBx0zNQ 9202
mdtraj/formats/psf.py sha256=CpF2UKy-hY6dlLjuLV6aBFfow5XvILDxm9q_U9pVivg 9757
mdtraj/formats/registry.py sha256=FJjw44hfMItW6Wl60iLBvduC3t36n2Gk668plV35xnk 1089
mdtraj/formats/tng.cpython-39-darwin.so sha256=jnRTBDiMUEUZfFbFe-9IvcepraSkOrTnPMKiEwTXVBI 480752
mdtraj/formats/trr.cpython-39-darwin.so sha256=m0UuhDhgZq6PKb0bEp_vv3b7ZJnS-AGQCWT2XYK8vVQ 339680
mdtraj/formats/xtc.cpython-39-darwin.so sha256=0wiR7jjO6ecm9rqvpHn1Mzwj4n1GSkyoB6uTH9CeXQ0 304216
mdtraj/formats/xyzfile.py sha256=8Wc06_nABCGmVqKXao9te52N79hbNRzqoMAt6qH3PQ4 14121
mdtraj/formats/pdb/__init__.py sha256=EoYUNiEza_oEGAhQXg66jLrMIb5UXn5Z4IPAiWOb67s 1131
mdtraj/formats/pdb/pdbfile.py sha256=MYeWpQ7NmbHDDeRsklliZeLFle6nMFbSNPPHn0p25Rk 30983
mdtraj/formats/pdb/pdbstructure.py sha256=ATSFIh0fsQeko73twP7f2Wo6SeevPic-joaK4_HFFZs 37300
mdtraj/formats/pdb/data/pdbNames.xml sha256=vMWpdY2jKfFljyCQErenvWIFvtv4ahMyRJCPOd8XRRs 9967
mdtraj/formats/pdb/data/residues.xml sha256=w5EXvxLQJLrkcqAL7UrXPsfO-97CTqVv6HTBgi7AUS4 24621
mdtraj/geometry/__init__.py sha256=S3uWYncN-Q_2J7p_MHBPBtnpJS4hTZutN3DLU5nSNMs 2412
mdtraj/geometry/_geometry.cpython-39-darwin.so sha256=LxRNWr1sBhVQbM6U8NZ07vywrZk3GfivempBGt6uMMU 339632
mdtraj/geometry/alignment.py sha256=UjZ42ye9xpO1yej1REV0G7IN4RKzMhjIxiKNmCA2k7o 9825
mdtraj/geometry/angle.py sha256=n1gOVopNsWbnvzhIoJEpXsDr02fizqjRd23aaMIlr_A 4301
mdtraj/geometry/contact.py sha256=Bj44E6-nRWOCR_l9HejtB-FVuaxv4fawY_sZvFOvorY 13688
mdtraj/geometry/dihedral.py sha256=aoru9h95BNDp8fH-gyC73g9CGng4AuBHKfad1SlJHJw 23759
mdtraj/geometry/distance.py sha256=fUzUBb_3Fjv5TwTthdXIZXotqwCa352Y68ONsV4HrqE 19163
mdtraj/geometry/drid.cpython-39-darwin.so sha256=chTBGsr358G5SVKxRicUhr2jmxzLgxwlmKzaVFpuCPc 209152
mdtraj/geometry/dssp.py sha256=dAP2A5ePI_cw0incaJu5a9DoWvi6M-pIZGhdFQBfNHU 3484
mdtraj/geometry/hbond.py sha256=x8I3_1vJ6C5poq5hChee8lENc4vHfYEOskYTqNeVom8 18311
mdtraj/geometry/internal.py sha256=jOGW7A0RVdQZ_AvgfQR4lc4zFZLD7PZNWJM0gexT8uM 20595
mdtraj/geometry/neighborlist.cpython-39-darwin.so sha256=7u-2N-7JCWYIq-hkA26x9cuH0T7eh1Shz6nf-7vaOso 188784
mdtraj/geometry/neighbors.cpython-39-darwin.so sha256=J8tvZIo2u8TLqMkD6feBDziPaSJHWEJNLQ8lIvczBII 189832
mdtraj/geometry/order.py sha256=09r9t469Jqqad2ILw12HH5W8ovZfvfLVIp1cv5XOqsU 12604
mdtraj/geometry/rdf.py sha256=f2V1W71hIfNb3VoG3rbVRQUYryJmojVnGwkFZEkb0To 8022
mdtraj/geometry/rg.py sha256=pVpI8meIPquFuTyfFVzHyp58LwgL6ZVCcse1KxzouKk 2799
mdtraj/geometry/sasa.py sha256=QUuykMACruvAsE_eZbkc75vw5kiDe_8OAWRC7Fkvr8U 10018
mdtraj/geometry/shape.py sha256=B0LdSnoWhQw7xtbPuQhXI2RjeL1jIj5DEuWMauGdQKM 5326
mdtraj/geometry/thermodynamic_properties.py sha256=_-5R31trXoMrFM0hkJOCmSmoCqpaUS8EaQUf2SX8dOI 6591
mdtraj/nmr/__init__.py sha256=jEV3bu59e8JZdClwMVR6SoEZ2dynHwMvDgHpGFOvGg4 275
mdtraj/nmr/scalar_couplings.py sha256=PVj0yyCwpOvUFItvH6q9itmLyCrl2vjdLfenxRycIFQ 8005
mdtraj/nmr/shift_wrappers.py sha256=JXo8_7LBljyIut5HAD-MaCNO_VULQKz88u8IpCsbDBw 12252
mdtraj/reporters/__init__.py sha256=8NuTxs_K3eaXm2xtig-aVtiWOwCf71e8InYJB83sVes 204
mdtraj/reporters/basereporter.py sha256=rs6eiDU8_PCgZ2jwi6KEuYcfsLhltBNz9R6haoKRBug 10849
mdtraj/reporters/dcdreporter.py sha256=KFOHdy8vMslGcSGwJCgJcUCpUWI71RgB5amvK7443bc 2555
mdtraj/reporters/hdf5reporter.py sha256=EhzfhgeTZ39aZiL-iqWEJPzKkqthA_IvlooUhU1R-Xg 4749
mdtraj/reporters/netcdfreporter.py sha256=V6kW1gvW3DMkSOmXVIQ_VnZS1wITUg1fMyqdY3LKsD0 3211
mdtraj/reporters/xtcreporter.py sha256=8BDnC8fimh82z3EScEfngbACeNwpbjGSk27WFK0_uTs 5168
mdtraj/scripts/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
mdtraj/scripts/mdconvert.py sha256=U317TvxIR_pGb3rs9eacdZ_nqG6ZtkLMAPBHK9QXhqs 20690
mdtraj/scripts/mdinspect.py sha256=uv7kzmPJCZNT3iPtxc-nN2shCKqcyPoy_1Lox619o1I 8485
mdtraj/testing/__init__.py sha256=d8SPhR1wV-20z851V21WOywh1TsLcMiFQA1ZN3wwCU4 1142
mdtraj/testing/docscrape.py sha256=0fBM3KqsbihIM5Z5YkgONRAAkt3WeWSSWNr90K-Bs_I 17166
mdtraj/testing/docstrings.py sha256=n9CGDCD7HNSy-WXSjtSSC9MlBG2aEgq7eHLngari_9k 7568
mdtraj/testing/testing.py sha256=58Lk5D8YfqxXb9_bCCTrioIqIPAMhrR54-VX9XQjwBw 7047
mdtraj/utils/__init__.py sha256=R7n1UVTM0dDnvpSYU4Fkiup5SYXrliI3fN4kOzVOYAQ 3764
mdtraj/utils/contextmanagers.py sha256=5O0Wxlxur9sVYpW2EfV1l3m_101DgxB68IGePZ78yGg 1073
mdtraj/utils/delay_import.py sha256=0EmYkQgGcmd_bTGrS4Ko9AWKnAw21y-taSbwHiXvNUI 6995
mdtraj/utils/rotation.py sha256=9-F6PLLvKEMdpVP2d9TLEO4dT3DFlCtCadH4kkWRwi4 4835
mdtraj/utils/singleton.py sha256=ABdTHkDkO30CeNFT3THJp8VoCCajlCGJuoOngUg39kA 440
mdtraj/utils/six.py sha256=SNXApDN7jwmlX8_NLCb6caksr3978JmmL3LgLONtHqs 20588
mdtraj/utils/unitcell.py sha256=rURZ38K4y4ApoayPXEa18ouk096OlrQ92zPD74jOKkQ 8245
mdtraj/utils/validation.py sha256=LACncRG_LxlwxvwdUDsBqEYhpmPYFvzd0K0r9epJ5j0 8147
mdtraj/utils/zipped.py sha256=lbtw0dnMPRNcASHoJ92LxfOlLws0eVIjoWojbUBUimA 1899
mdtraj/utils/unit/__init__.py sha256=CdHzUm_COH64gs5R48wIJpSLKl1Teq0rcTaGDWT9pHQ 6911
mdtraj/utils/unit/basedimension.py sha256=J8g_jKFp5jSPVsx4ngwaH1ch0miaP8QK_PpUgQlm7rk 3953
mdtraj/utils/unit/baseunit.py sha256=rYxcQ8JfJXhlFkfCJkqIblbebV9JzE_npLqKZxj9zmY 6929
mdtraj/utils/unit/constants.py sha256=OONyIikF6WcrCVJgSJxBTycvzdzPMSd7drI7UZopbvI 2171
mdtraj/utils/unit/doctests.py sha256=SlCbLtVAVFReRXZEnTlEXrkeAdg71apYbFpwhdWYNig 21553
mdtraj/utils/unit/mymatrix.py sha256=4Sn6oK3nLDnfCrgRM3gAND8ksC3Z8mZy6wZsxRRmdR4 13259
mdtraj/utils/unit/prefix.py sha256=ypqv8yiYrcVPtYLOK36HFL5GGGPrAH59lMXHPY-zD74 6789
mdtraj/utils/unit/quantity.py sha256=hwisMNQgW_2kxs3llZrmQhdm51KVi_KeBiiVnyntn54 32230
mdtraj/utils/unit/standard_dimensions.py sha256=T7x3tjLyBjlpKiCbTKV4DYPVIxgLzeXZwl_r9Cdb7v8 2372
mdtraj/utils/unit/unit.py sha256=ZAWRMas2ZRy_K0nSuqm6Dhc27jej4Hvw_6kAT9_3LF8 26390
mdtraj/utils/unit/unit_definitions.py sha256=bOsCV9Rb8n_y7EKi6nO0MBdk8g45WPI9mQDb59OY-rQ 13674
mdtraj/utils/unit/unit_math.py sha256=3yhnwfohXPbAGA1RELmQqnikTo3UzK98CQOTeZt9q_U 4600
mdtraj/utils/unit/unit_operators.py sha256=URo76vPS0eXPrkBIlRF4Ta72syG9ctD4AOhGwertuLY 5693
mdtraj-1.9.9.dist-info/LICENSE sha256=3GJlINzVOiL3J68-5Cx3DlbJemT-OtsGN5nYqwMv5VE 26530
mdtraj-1.9.9.dist-info/METADATA sha256=d4ol_woWR3vWxiWHxtnZM_9T8uErIL4cL9Gvk8XQg9A 1616
mdtraj-1.9.9.dist-info/WHEEL sha256=s7XPjZkVOHAkO1EjWZBiLHfT09kcOS6vaHDFYIv3C8A 109
mdtraj-1.9.9.dist-info/entry_points.txt sha256=t4hZ4PBQENs4Xc8p9wd-D5XOJEVpt7XkcDYGDTrmc2E 116
mdtraj-1.9.9.dist-info/top_level.txt sha256=q9fGXmC9rXPL1lhTcwYeLQloWZtUv_pKR4isMg3MhtY 7
mdtraj-1.9.9.dist-info/RECORD — —

top_level.txt

mdtraj

entry_points.txt

[console_scripts]
mdconvert = mdtraj.scripts.mdconvert:entry_point
mdinspect = mdtraj.scripts.mdinspect:entry_point