| /dports/science/cp2k-data/cp2k-7.1.0/tests/Fist/sample_pot/ |
| H A D | ethene_fake.pot | 41 !ZINC
|
| H A D | par_all27_prot_lipid.inp | 41 !ZINC
|
| H A D | charmm.pot | 41 !ZINC
|
| /dports/science/plumed/plumed2-2.7.2/test/namd/ |
| H A D | par_all27_prot_lipid.prm | 27 !ZINC
|
| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/contrib/iapbs/modules/NAMD/test/ubq/ |
| H A D | par_all27_prot_lipid.inp | 27 !ZINC
|
| /dports/biology/emboss/EMBOSS-6.6.0/test/data/structure/pdb/ |
| H A D | 4at1.ent | 339 HET ZN B 109 1 ZINC ION BOUND TO THE REGULATORY CHAIN 4AT1 340
341 HET ZN D 109 1 ZINC ION BOUND TO THE REGULATORY CHAIN 4AT1 342
|
| /dports/graphics/dataplot/dataplot-2c1b27601a3b7523449de612613eadeead9a8f70/src/ |
| H A D | dp32.F | 10965 ZINC=XINC/500.
10968 XJUNK=XJUNK+ZINC
|
| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/contrib/iapbs/modules/CHARMM/examples/RAS-RAF/data/ |
| H A D | par_all27_prot_na.prm | 31 !ZINC
|
| /dports/textproc/weka/weka-3-8-5/data/ |
| H A D | ReutersCorn-test.arff | 36 'THAI ZINC EXPORTS FALL IN MARCH Thai zinc ingot exports fell to 882\ntonnes in March from 1,764 in…
295 'RIO TINTO-ZINC CORP PLC 1986 PRETAX PROFIT 601.7 mln stg\nvs 614.4 mln\n ',0
296 'RIO TINTO-ZINC NET ATTRIBUTABLE PROFIT LOWER Year to December 31, 1986\n SHR 78.91p vs 83.05p\n…
|
| H A D | ReutersGrain-test.arff | 36 'THAI ZINC EXPORTS FALL IN MARCH Thai zinc ingot exports fell to 882\ntonnes in March from 1,764 in…
295 'RIO TINTO-ZINC CORP PLC 1986 PRETAX PROFIT 601.7 mln stg\nvs 614.4 mln\n ',0
296 'RIO TINTO-ZINC NET ATTRIBUTABLE PROFIT LOWER Year to December 31, 1986\n SHR 78.91p vs 83.05p\n…
|
| H A D | ReutersCorn-train.arff | 563 'THREE KILLED IN SOUTH AFRICA ZINC REFINERY CLASH Three black workers were killed and\nseven injure…
|
| H A D | ReutersGrain-train.arff | 563 'THREE KILLED IN SOUTH AFRICA ZINC REFINERY CLASH Three black workers were killed and\nseven injure…
|
| /dports/science/rdkit/rdkit-Release_2021_03_5/Contrib/NIBRSubstructureFilters/ |
| H A D | SubstructureFilter_HitTriaging_wPubChemExamples.csv | 218 …amine_ester,"[#7]O[#6,#16]=O",2,2,EXCLUDE,0,0,Schneider,"derived from the ZINC filter set,flag unw…
320 NIBR_Screeningdeck_2019,perchlorates,OCl(O)(O)(O),1,2,EXCLUDE,0,0,Schneider,"derived from the ZINC …
391 NIBR_Screeningdeck_2019,sulfanetriol,S(O)(O)(O),1,2,EXCLUDE,0,0,Schneider,"derived from the ZINC fi…
|
| /dports/biology/emboss/EMBOSS-6.6.0/test/data/ |
| H A D | uniprotft.sw | 2149 RP FUNCTION, SUBCELLULAR LOCATION, ZINC-BINDING, AND MUTAGENESIS OF
|
| /dports/biology/jalview/jalview/examples/testdata/ |
| H A D | cullpdb_pc25_res3.0_R0.3_d150729_chains9361.fasta.15316 | 6328 >2W15A 202 XRAY 1.05 0.117 0.143 no ZINC METALLOPROTEINASE BAP1 <UNP VMBP1_BOTAS> [BOTHROPS ASPER]
11323 >1C7KA 132 XRAY 1.00 0.154 0.178 no ZINC ENDOPROTEASE <UNP SNPA_STRCS> [STREPTOMYCES CAESPITOSUS]
42187 >2BKFA 87 XRAY 1.56 0.200 0.226 no ZINC-FINGER PROTEIN NBR1 (NEXT TO BREAST CANCER 1) <UNP M172_HUM…
42219 >4BKWA 531 XRAY 2.53 0.206 0.247 no ZINC FINGER FYVE DOMAIN-CONTAINING PROTEIN 9 <UNP ZFYV9_HUMAN> …
68022 >2X5YA 173 XRAY 1.05 0.131 0.149 no ZINC FINGER CCCH-TYPE ANTIVIRAL PROTEIN 1 <UNP ZCCHV_HUMAN> [HO…
|
| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/basis/ |
| H A D | ANO-RCC | 1754 ! ZINC (21s,15p,10d,6f,4g,2h) -> [10s,9p,8d,6f,4g,2h]
1755 ! ZINC (21s,15p,10d,6f,4g,2h) -> [10s,9p,8d,6f,4g,2h]
|
| /dports/biology/molden/molden5.8/ |
| H A D | HISTORY | 425 multi-conformer library of the ZINC database.
|
| /dports/science/rdkit/rdkit-Release_2021_03_5/ |
| H A D | ReleaseNotes.md | 3567 - RDKit learns how to filter PAINS/BRENK/ZINC/NIH via FilterCatalog
|
| /dports/science/jmol/jmol-14.32.7/src/org/jmol/minimize/forcefield/mmff/validate/ |
| H A D | MMFF94_dative.mol2 | 43027 COMMENT ZINC +2 CATION PLUS 3 WATERS
|
| H A D | MMFF94_hypervalent.mol2 | 43027 COMMENT ZINC +2 CATION PLUS 3 WATERS
|
| /dports/biology/emboss/EMBOSS-6.6.0/emboss/data/OBO/ |
| H A D | chebi.obo | 12791 synonym: "ZINC ION" RELATED [PDBeChem:]
|