Wheelodex » Projects » d3r » d3r-1.12.0-py2.py3-none-any.whl

d3r

View on PyPI — Reverse Dependencies (0)

1.12.0 d3r-1.12.0-py2.py3-none-any.whl

Wheel Details

Project: d3r
Version: 1.12.0
Filename: d3r-1.12.0-py2.py3-none-any.whl
Download: [link]
Size: 257963
MD5: 8a942b06e80536d25a29d781ecf323c9
SHA256: 17ae8e09adabc62e67d53d29a0efb43a3d4ffa820f2a5c43072932e5bcc91462
Uploaded: 2019-08-16 20:33:06 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.0
Name: d3r
Version: 1.12.0
Summary: Drug Design Data Resource CELPP Runner is an application to run the filtering, docking, and evaluation of new sequences from wwpdb
Author: Christopher Churas <churas@ncmir.ucsd.edu>,Shuai Liu <shuailiu25@gmail.com>,Jeff Wagner <j5wagner@ucsd.edu>,Rob Swift <rvswift@ucsd.edu>
Author-Email: drugdesigndata[at]gmail.com
Home-Page: https://github.com/drugdata/D3R
License: Other
Keywords: d3r
Classifier: Development Status :: 2 - Pre-Alpha
Classifier: Intended Audience :: Science/Research
Classifier: License :: Free for non-commercial use
Classifier: Natural Language :: English
Classifier: Environment :: Console
Classifier: Programming Language :: Python :: 2.6
Classifier: Programming Language :: Python :: 2.7
Classifier: Topic :: Scientific/Engineering :: Chemistry
Requires-Dist: argparse
Requires-Dist: biopython (==1.68)
Requires-Dist: configparser
Requires-Dist: easywebdav
Requires-Dist: ftpretty
Requires-Dist: lockfile
Requires-Dist: psutil
Requires-Dist: python-dateutil
Requires-Dist: requests
Requires-Dist: xlsxwriter
[Description omitted; length: 19990 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.29.0)
Root-Is-Purelib: true
Tag: py2-none-any
Tag: py3-none-any

RECORD

Path Digest Size
d3r/__init__.py sha256=BLf_jl9n1ft4457oNqFSZwLUBMFH6HGm1W7HyqifeaQ 118
d3r/blastnfilter.py sha256=3xo5BvhTkuY4z-VJTqkWzTv2hEi7qvRVuXz7TCnAW2k 2559
d3r/celppreports.py sha256=9WPup5t6Mpfv1HpTBj_GIzKV2CS8yjo473gg2bTxYNc 6336
d3r/celpprunner.py sha256=Mq9y5428eY_busnNj3gH45X83eeNvQbc1An5FRL2jjs 36436
d3r/chimera_proteinligprep.py sha256=aXzpeHtxJyjIa2Cke4P0I4wmRsahND77C5yK5fW4hrM 12268
d3r/evaluate.py sha256=uycmOzJnF9O94_Ut09q6xDPg5EeJTB3DWWemGhm8LQw 74250
d3r/genchallengedata.py sha256=V6Ho3-VY40pGFd6e4svF2S1mNYksPNrwSWtcJhYrh-k 18224
d3r/getchallengedata.py sha256=F9cInoF30xBGWtBudYoMyJJp9_wqQbzjq__qiizzago 4460
d3r/glidedocking.py sha256=CqIXQ79oc2KwL0h3VGQtdCRxCRiJaT7Ch5Txl-NZ9uw 8873
d3r/molfilevalidator.py sha256=K5Y2pV2iEFugoApziXupG1wBofCKxx5NuLZz-lSUcLs 29720
d3r/no_prot_omega_lig_prep.py sha256=S7oaeJoc8fbpBIt5wkMSrkp9yvR5VTmjrvLwPdfVX5E 2489
d3r/oefreddocking.py sha256=LrR-AJTjN6wgjpohbObyrSdTLeV7T0b9SocRGEBC19w 7747
d3r/packdockingresults.py sha256=hDBV_Rtnqbnbhk-O6B-z_8EZ_7MemtW6UXgzOVK7iZU 7503
d3r/post_evaluation.py sha256=UU7YA7Avtzyjeq4Rw89CKNtfJtOWtV9Ntd0UoVknMHY 21077
d3r/postanalysis.py sha256=2diZjvcPWLkRD1TiLRo34Tx60WZFo1eyHoDp1v8bw-s 5056
d3r/proteinligprep.py sha256=o-2iEA5SsBgMdiySMauENVLFnEEgVnvm7AsWFeXtGe0 16487
d3r/vinadocking.py sha256=Eu-vlLPReMrDduUqoTGPUwQHSpnCACjQ1iQGiCM4w-w 8493
d3r/blast/__init__.py sha256=1dow8eOPbaLqp304OtSfWt92_lUCDr_oil-O-TmRjK4 24
d3r/blast/base.py sha256=Ibm2DhuPw9NBo0srYkUPYxdcEbrA1nOsbMewhHTFVgU 4004
d3r/blast/hit.py sha256=oaTRfYBUh6BoK3YSEeBrlI5Dp4QlfMAT75SreeoeSHE 20201
d3r/blast/hit_sequence.py sha256=I-Ye-A3zqy_fUqn_4nwZ8HvoXBXrg4CUfyZIz-GDnsc 5434
d3r/blast/ligand.py sha256=A-7v5iNGis32hHfgdA9Y6eRV6VernQlMIwbA8RIpsW0 10163
d3r/blast/mcss.py sha256=vbB6QsFrqCbC--Ll7pntrLkMrX0YG2LGyd9g_3no9vM 1637
d3r/blast/parse_alignment.py sha256=z_r4P1EiIyabCuFI53h2jB5KR8iwL3XyYBys1ZAjVhc 1844
d3r/blast/query.py sha256=a7ygHbGyizJZz6-txdFX7pEM6D4u36X5MIqDZjCPE7o 16102
d3r/celpp/__init__.py sha256=KMb_FnlCzW1CL1LjdqUPCJUPTx0NiCVlB2HQxM3u_nA 47
d3r/celpp/blastnfilter.py sha256=3Jy7MKtHR0NzilmAKRs62T_RqKO8V-4N2kX4EqM6EPM 15806
d3r/celpp/challengedata.py sha256=qTbE3x5ztj3ZiUKiH7tyqVedXrUwDLjq5MywCapJ-C8 19136
d3r/celpp/chimeraprep.py sha256=BFfuMiGCAQbAgDwxNUF1fhwtias6WTIkfbE8G5ASSpg 5364
d3r/celpp/dataimport.py sha256=AFMKjrdwBCemdxJF6s5GMNbv6peUX7lPVpRNuKG_mDw 21135
d3r/celpp/evaluation.py sha256=9dZ5NF49XKlPElpuZWURbCUr6h7F3Q89u1cibny0TyM 34982
d3r/celpp/extsubmission.py sha256=iKw4zmHlMayjCE8cJSW7cpHnANN9-1hryMO-U4awzbQ 17531
d3r/celpp/filetransfer.py sha256=OV6YtsBvQu5dAf_cPQgjGrWTjYELkDHW8fcZDSecRzk 30875
d3r/celpp/glide.py sha256=IkeLdQc2-36TKTwXoMdbR1trV4twAUvTGv2GQkv6P6A 5705
d3r/celpp/makeblastdb.py sha256=CHzj_i1Id1xTPKqXRpeUYg4D2o3Oxq789FltmkI9pqk 8775
d3r/celpp/participant.py sha256=SXQgvoFnUUEEsytw7yIFZ3FTh7GNfgB0vSooyaTsFDY 6555
d3r/celpp/postevaluation.py sha256=4jongFQKR_O1mYzJn_DNPSJMGT7VIzuKhHudbwDzgWY 16508
d3r/celpp/proteinligprep.py sha256=PFVqv3PfBwAK2BfeUhl5-6okwcTiWzmewYfBWQqSrMI 5904
d3r/celpp/task.py sha256=y_MvKPDGagKW11xGmyguDfbY0ZUKdclVYqCcoeoN0zk 43833
d3r/celpp/util.py sha256=MuxdFQrMGTWf7qB66QLfXe2jR8RQHnF99osGndcjNvs 21309
d3r/celpp/vina.py sha256=BdoHFoT3Soxo8ZnM0gEM5PByToyoV5pLvr6rISfM-Lo 4187
d3r/celppade/__init__.py sha256=2HVl1OtmMbimo7cdvwmrKd9XRGo_X9SVhAb89PLpjMs 47
d3r/celppade/custom_dock.py sha256=KF2I_Q5JiN8OVGHwdtIabAt2vXm4Ej93pFKuR39be6M 23894
d3r/celppade/custom_ligand_prep.py sha256=6MtQ7rRcOhfhGiRhvfbwqLDgd2U3VNgc6KVB_Z31q9k 5063
d3r/celppade/custom_protein_prep.py sha256=87_WenpurcFtKN6pZb4DVNgLH_LiL1q0IG2iyRz6Evs 8193
d3r/filter/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
d3r/filter/filter.py sha256=pdS3JoNU1XmYoL18aO4bhmBbIKkFI0WXC27znOICt08 16990
d3r/filter/filtering_sets.py sha256=Gbh2mvN9Oaoo2fdygPYLIzphwIV94ZZq2_GIXOtHksI 11585
d3r/utilities/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
d3r/utilities/align.py sha256=LgsVCG-6w0cRVcQI6RIvRYzNk5F2z2Y41xQ8oWUJiuI 7
d3r/utilities/analysis.py sha256=TJD106fRxv7h9hZgrQzufBU_FtlNMwXQRmRoZ9NeOx4 8867
d3r/utilities/challenge_data.py sha256=LRRAbEM8972RNmhe7WQLfQmB7tceB5vcXhiiUUGL824 2975
d3r/utilities/in_put.py sha256=xOqURAG7yx5VcOOJRn9xNJTmQEvPP4uTMOeJCvApp1c 5319
d3r/utilities/io_parser.py sha256=k4PDJnlJxJwEBx-Uk-L_ID7kIKB8xEt8kQURp4Mzrwc 2573
d3r/utilities/out_put.py sha256=UpyBIU2rTpj1o67SnU62gwYW05TOg7XJimtyq0g2OfA 1539
d3r/utilities/readers.py sha256=mjTshM_6FqgwMj6yzE8SeYp3Z3MASuR8g8IPet0v0nQ 5540
d3r/utilities/run.py sha256=IZbNdsqe_kO942qLIaZPUec6CqGCGambfXTkSWzK2Iw 6975
d3r/utilities/writers.py sha256=ckGariBcpYepz-TeZ7BPHmGd7S7mQpoVOfmsq0-mOAk 15700
d3r-1.12.0.data/scripts/blastnfilter.py sha256=tYZyXpSDV4tPOg8SFbjfNim8znt51qjSS5Cti1ggMyU 2546
d3r-1.12.0.data/scripts/celppreports.py sha256=cnpZa0YBt469dkKlEO4ZCdleXNkiEupyGq3LpT20T8U 6322
d3r-1.12.0.data/scripts/celpprunner.py sha256=R1uNEwfGPJrDv3mxvMhk1IEKgaDOkUR7orJN4odjqto 36422
d3r-1.12.0.data/scripts/chimera_proteinligprep.py sha256=AVr41ZtN_D5TVpxVo83-Mh_j1NP12PcHL2L1cfIqMhw 12255
d3r-1.12.0.data/scripts/evaluate.py sha256=bfi5wrR11jWVWy_88fdLyNDMuiTTT3bkjiGbJzM4PUY 74236
d3r-1.12.0.data/scripts/genchallengedata.py sha256=Z5fvzMdQnGL2Kqs-bSfy_rB7Df5thiOvox3mtFB6_E8 18211
d3r-1.12.0.data/scripts/getchallengedata.py sha256=8I7rP2_9KvoNQSvnl1zvmNKmlZMZ4tXkb_G3q0lkOZU 4447
d3r-1.12.0.data/scripts/glidedocking.py sha256=fxySqvz84Vl0_xcD6y3-gQE-ATAV3iHTVENaAtRcxC4 8860
d3r-1.12.0.data/scripts/molfilevalidator.py sha256=2mU8wmAIXEWMqtPV7leOmHIZgRb0R3IMwE4053IOvWA 29706
d3r-1.12.0.data/scripts/packdockingresults.py sha256=g9z2NDMX5KyqnDnl4DeIYqAvEfd_V3Td2oR9PzWB0O4 7490
d3r-1.12.0.data/scripts/post_evaluation.py sha256=TlfrmxYh-ddU0DtxxzwZEqdogrXA5UfyTSkZRJ_L7o0 21064
d3r-1.12.0.data/scripts/postanalysis.py sha256=aE2cReJDD-xtZdLxWYPEec_i4VDfFrm8lyHK35dyRLE 5043
d3r-1.12.0.data/scripts/proteinligprep.py sha256=IdJMhzVFnkIbTEfjis3li1bGO_vq8TBFMRR3Cg074hY 16474
d3r-1.12.0.data/scripts/vinadocking.py sha256=rJ9SxFbl3t0wmK0kh3T5KKRODaUKCO3OaNL9665tV7Y 8480
d3r-1.12.0.dist-info/DESCRIPTION.rst sha256=BpduGMwYWRtmkdurOBGFcZjOVHjKF-857JVY_PHfdYg 19990
d3r-1.12.0.dist-info/METADATA sha256=_dDjkwjnqdyyQah335lCa2ckDrukPU80JfbLYeuiXls 21097
d3r-1.12.0.dist-info/RECORD — —
d3r-1.12.0.dist-info/WHEEL sha256=o2k-Qa-RMNIJmUdIc7KU6VWR_ErNRbWNlxDIpl7lm34 110
d3r-1.12.0.dist-info/metadata.json sha256=HQXfkjvBeBVp23QVDtspd8e4R1-hgfiItSIW5kglF8E 1385
d3r-1.12.0.dist-info/top_level.txt sha256=pyxL9leHiNiXFUA0-vcohSHjjSuWt2oAxUt3ws-zpEU 4

top_level.txt

d3r