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v 1.1 (Spring 2020)
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Process a structure file
Publication files:
Compound name: Maybridge_Ro3_Fragment_01_A06
  • Formula: C8H5N1O2S2
  • Maybridge_Ro3_Fragment_01_A06
Compound name: Maybridge_Ro3_Fragment_01_B02
  • Formula: C6H6O2S1
  • Maybridge_Ro3_Fragment_01_B02
Compound name: Maybridge_Ro3_Fragment_01_B05
  • Formula: C6H5N1O2
  • Maybridge_Ro3_Fragment_01_B05
Compound name: Maybridge_Ro3_Fragment_01_B10
  • Formula: C9H6O3S1
  • Maybridge_Ro3_Fragment_01_B10
Compound name: Maybridge_Ro3_Fragment_01_B11
  • Formula: C7H8N2
  • Maybridge_Ro3_Fragment_01_B11
Compound name: Maybridge_Ro3_Fragment_01_C07
  • Formula: C8H7N1S1
  • Maybridge_Ro3_Fragment_01_C07
Compound name: Maybridge_Ro3_Fragment_01_C08
  • Formula: C10H9N1O1
  • Maybridge_Ro3_Fragment_01_C08
Compound name: Maybridge_Ro3_Fragment_01_C11
  • Formula: C9H8N2
  • Maybridge_Ro3_Fragment_01_C11
Compound name: Maybridge_Ro3_Fragment_01_D02
  • Formula: C7Cl1F1H5N1O1
  • Maybridge_Ro3_Fragment_01_D02
Compound name: Maybridge_Ro3_Fragment_01_D08
  • Formula: C12H11N1O1
  • Maybridge_Ro3_Fragment_01_D08
Compound name: Maybridge_Ro3_Fragment_01_E02
  • Formula: C7Cl1H6N1O2
  • Maybridge_Ro3_Fragment_01_E02
Compound name: Maybridge_Ro3_Fragment_01_E09
  • Formula: C10H15N3
  • Maybridge_Ro3_Fragment_01_E09
Compound name: Maybridge_Ro3_Fragment_01_E10
  • Formula: C12H15N3
  • Maybridge_Ro3_Fragment_01_E10
Compound name: Maybridge_Ro3_Fragment_01_E11
  • Formula: C9H12O2S1
  • Maybridge_Ro3_Fragment_01_E11
Compound name: Maybridge_Ro3_Fragment_01_F09
  • Formula: C13H20N2O1
  • Maybridge_Ro3_Fragment_01_F09
Compound name: Maybridge_Ro3_Fragment_01_G07
  • Formula: C6H7N1O1S1
  • Maybridge_Ro3_Fragment_01_G07
Compound name: Maybridge_Ro3_Fragment_01_G10
  • Formula: C7H11N1O1S1
  • Maybridge_Ro3_Fragment_01_G10
Compound name: Maybridge_Ro3_Fragment_01_H02
  • Formula: C6H7N1O1
  • Maybridge_Ro3_Fragment_01_H02
Compound name: Maybridge_Ro3_Fragment_01_H05
  • Formula: C11H8O2S1
  • Maybridge_Ro3_Fragment_01_H05
Compound name: Maybridge_Ro3_Fragment_01_H10
  • Formula: C12H10O2S1
  • Maybridge_Ro3_Fragment_01_H10
Compound name: Maybridge_Ro3_Fragment_01_H11
  • Formula: C9H13N1O2S2
  • Maybridge_Ro3_Fragment_01_H11
Compound name: Maybridge_Ro3_Fragment_02_A04
  • Formula: C7H7N1O2
  • Maybridge_Ro3_Fragment_02_A04
Compound name: Maybridge_Ro3_Fragment_02_A09
  • Formula: C7F3H5N2S1
  • Maybridge_Ro3_Fragment_02_A09
Compound name: Maybridge_Ro3_Fragment_02_A10
  • Formula: C9H7N1O2
  • Maybridge_Ro3_Fragment_02_A10
Compound name: Maybridge_Ro3_Fragment_02_B02
  • Formula: C7Cl1H7O2S1
  • Maybridge_Ro3_Fragment_02_B02
Compound name: Maybridge_Ro3_Fragment_02_B03
  • Formula: C5Cl1H10N1O2S1
  • Maybridge_Ro3_Fragment_02_B03
Compound name: Maybridge_Ro3_Fragment_02_B05
  • Formula: C13H17N1O1S1
  • Maybridge_Ro3_Fragment_02_B05
Compound name: Maybridge_Ro3_Fragment_02_C02
  • Formula: C6Cl2H5N1O1
  • Maybridge_Ro3_Fragment_02_C02
Compound name: Maybridge_Ro3_Fragment_02_C07
  • Formula: C8F3H7O1
  • Maybridge_Ro3_Fragment_02_C07
Compound name: Maybridge_Ro3_Fragment_02_C09
  • Formula: C8H10N2O1S1
  • Maybridge_Ro3_Fragment_02_C09
Compound name: Maybridge_Ro3_Fragment_02_D08
  • Formula: C9H8N2
  • Maybridge_Ro3_Fragment_02_D08
Compound name: Maybridge_Ro3_Fragment_02_D10
  • Formula: C8H10N2S1
  • Maybridge_Ro3_Fragment_02_D10
Compound name: Maybridge_Ro3_Fragment_02_D11
  • Formula: C9H10O3
  • Maybridge_Ro3_Fragment_02_D11
Compound name: Maybridge_Ro3_Fragment_02_E03
  • Formula: C10H14N2O1
  • Maybridge_Ro3_Fragment_02_E03
Compound name: Maybridge_Ro3_Fragment_02_E04
  • Formula: C8Cl1H7O3
  • Maybridge_Ro3_Fragment_02_E04
Compound name: Maybridge_Ro3_Fragment_02_E05
  • Formula: C10Cl1H7O2S1
  • Maybridge_Ro3_Fragment_02_E05
Compound name: Maybridge_Ro3_Fragment_02_E09
  • Formula: C7H10N2
  • Maybridge_Ro3_Fragment_02_E09
Compound name: Maybridge_Ro3_Fragment_02_E10
  • Formula: C9H8O1S1
  • Maybridge_Ro3_Fragment_02_E10
Compound name: Maybridge_Ro3_Fragment_02_F03
  • Formula: C9H9N3
  • Maybridge_Ro3_Fragment_02_F03
Compound name: Maybridge_Ro3_Fragment_02_F04
  • Formula: C9Cl1H12N1O2
  • Maybridge_Ro3_Fragment_02_F04
Compound name: Maybridge_Ro3_Fragment_02_F06
  • Formula: C7F1H4N1
  • Maybridge_Ro3_Fragment_02_F06
Compound name: Maybridge_Ro3_Fragment_02_F07
  • Formula: C10H9N1O1
  • Maybridge_Ro3_Fragment_02_F07
Compound name: Maybridge_Ro3_Fragment_02_F08
  • Formula: C12F3H8N1O1S1
  • Maybridge_Ro3_Fragment_02_F08
Compound name: Maybridge_Ro3_Fragment_02_F09
  • Formula: C9F3H7O3
  • Maybridge_Ro3_Fragment_02_F09
Compound name: Maybridge_Ro3_Fragment_02_G02
  • Formula: C6H6O3S1
  • Maybridge_Ro3_Fragment_02_G02
Compound name: Maybridge_Ro3_Fragment_02_G07
  • Formula: C7H4O2S2
  • Maybridge_Ro3_Fragment_02_G07
Compound name: Maybridge_Ro3_Fragment_02_G08
  • Formula: C5Cl1H3N2S1
  • Maybridge_Ro3_Fragment_02_G08
Compound name: Maybridge_Ro3_Fragment_02_G09
  • Formula: C10H12O1
  • Maybridge_Ro3_Fragment_02_G09
Compound name: Maybridge_Ro3_Fragment_02_G11
  • Formula: C5H5N3
  • Maybridge_Ro3_Fragment_02_G11
Compound name: Maybridge_Ro3_Fragment_03_A07
  • Formula: C12H19N1O2
  • Maybridge_Ro3_Fragment_03_A07
Compound name: Maybridge_Ro3_Fragment_03_B03
  • Formula: C9H8O1S1
  • Maybridge_Ro3_Fragment_03_B03
Compound name: Maybridge_Ro3_Fragment_03_B04
  • Formula: C10H9N1O1S1
  • Maybridge_Ro3_Fragment_03_B04
Compound name: Maybridge_Ro3_Fragment_03_B06
  • Formula: C13F3H11N2
  • Maybridge_Ro3_Fragment_03_B06
Compound name: Maybridge_Ro3_Fragment_03_C04
  • Formula: C11H9N3
  • Maybridge_Ro3_Fragment_03_C04
Compound name: Maybridge_Ro3_Fragment_03_C06
  • Formula: C6Cl1H6N1O1
  • Maybridge_Ro3_Fragment_03_C06
Compound name: Maybridge_Ro3_Fragment_03_C09
  • Formula: C9H8N2O1S1
  • Maybridge_Ro3_Fragment_03_C09
Compound name: Maybridge_Ro3_Fragment_03_C11
  • Formula: C7F3H9O2
  • Maybridge_Ro3_Fragment_03_C11
Compound name: Maybridge_Ro3_Fragment_03_D02
  • Formula: C11H10N2
  • Maybridge_Ro3_Fragment_03_D02
Compound name: Maybridge_Ro3_Fragment_03_D03
  • Formula: C12H15N1O2
  • Maybridge_Ro3_Fragment_03_D03
Compound name: Maybridge_Ro3_Fragment_03_D06
  • Formula: C11H12N2O1
  • Maybridge_Ro3_Fragment_03_D06
Compound name: Maybridge_Ro3_Fragment_03_E04
  • Formula: C11H16N2
  • Maybridge_Ro3_Fragment_03_E04
Compound name: Maybridge_Ro3_Fragment_03_E07
  • Formula: C10H11N3
  • Maybridge_Ro3_Fragment_03_E07
Compound name: Maybridge_Ro3_Fragment_03_E08
  • Formula: C12F3H11N2O1
  • Maybridge_Ro3_Fragment_03_E08
Compound name: Maybridge_Ro3_Fragment_03_E10
  • Formula: C9H14N2O1S1
  • Maybridge_Ro3_Fragment_03_E10
Compound name: Maybridge_Ro3_Fragment_03_F10
  • Formula: C6Cl1H3N2S1
  • Maybridge_Ro3_Fragment_03_F10
Compound name: Maybridge_Ro3_Fragment_03_G02
  • Formula: C10H11N3
  • Maybridge_Ro3_Fragment_03_G02
Compound name: Maybridge_Ro3_Fragment_03_G03
  • Formula: C12H9N1O2
  • Maybridge_Ro3_Fragment_03_G03
Compound name: Maybridge_Ro3_Fragment_03_G04
  • Formula: C11H11N1O1
  • Maybridge_Ro3_Fragment_03_G04
Compound name: Maybridge_Ro3_Fragment_03_G06
  • Formula: C10H9N3
  • Maybridge_Ro3_Fragment_03_G06
Compound name: Maybridge_Ro3_Fragment_03_G09
  • Formula: C11H12N2S1
  • Maybridge_Ro3_Fragment_03_G09
Compound name: Maybridge_Ro3_Fragment_03_G10
  • Formula: C9Cl1H11O1
  • Maybridge_Ro3_Fragment_03_G10
Compound name: Maybridge_Ro3_Fragment_03_G11
  • Formula: C7Cl1H4N3S1
  • Maybridge_Ro3_Fragment_03_G11
Compound name: Maybridge_Ro3_Fragment_03_H03
  • Formula: C12H11N1O2S1
  • Maybridge_Ro3_Fragment_03_H03
Compound name: Maybridge_Ro3_Fragment_03_H08
  • Formula: C14H12O3
  • Maybridge_Ro3_Fragment_03_H08
Compound name: Maybridge_Ro3_Fragment_03_H10
  • Formula: C6F1H3N2
  • Maybridge_Ro3_Fragment_03_H10
Compound name: Maybridge_Ro3_Fragment_04_B03
  • Formula: C11H12N2O1
  • Maybridge_Ro3_Fragment_04_B03
Compound name: Maybridge_Ro3_Fragment_04_B04
  • Formula: C5Cl1H7N2O1
  • Maybridge_Ro3_Fragment_04_B04
Compound name: Maybridge_Ro3_Fragment_04_B05
  • Formula: C8F1H9O2
  • Maybridge_Ro3_Fragment_04_B05
Compound name: Maybridge_Ro3_Fragment_04_B08
  • Formula: C9H10O3
  • Maybridge_Ro3_Fragment_04_B08
Compound name: Maybridge_Ro3_Fragment_04_C06
  • Formula: C9H11N1O2S1
  • Maybridge_Ro3_Fragment_04_C06
Compound name: Maybridge_Ro3_Fragment_04_C07
  • Formula: C7H5N1O1S1
  • Maybridge_Ro3_Fragment_04_C07
Compound name: Maybridge_Ro3_Fragment_04_C11
  • Formula: C8H10N2O4
  • Maybridge_Ro3_Fragment_04_C11
Compound name: Maybridge_Ro3_Fragment_04_D04
  • Formula: C9H9N1O1
  • Maybridge_Ro3_Fragment_04_D04
Compound name: Maybridge_Ro3_Fragment_04_D05
  • Formula: C6H5N1O2S2
  • Maybridge_Ro3_Fragment_04_D05
Compound name: Maybridge_Ro3_Fragment_04_D06
  • Formula: C7Cl1F3H4N2S1
  • Maybridge_Ro3_Fragment_04_D06
Compound name: Maybridge_Ro3_Fragment_04_D07
  • Formula: C8F3H5N2O1
  • Maybridge_Ro3_Fragment_04_D07
Compound name: Maybridge_Ro3_Fragment_04_D08
  • Formula: C9H15N1O2
  • Maybridge_Ro3_Fragment_04_D08
Compound name: Maybridge_Ro3_Fragment_04_D10
  • Formula: C6H7N1O2S1
  • Maybridge_Ro3_Fragment_04_D10
Compound name: Maybridge_Ro3_Fragment_04_E02
  • Formula: C8Cl1H5N2O1
  • Maybridge_Ro3_Fragment_04_E02
Compound name: Maybridge_Ro3_Fragment_04_E03
  • Formula: C8F3H6N1O2
  • Maybridge_Ro3_Fragment_04_E03
Compound name: Maybridge_Ro3_Fragment_04_E05
  • Formula: C14H12O3S2
  • Maybridge_Ro3_Fragment_04_E05
Compound name: Maybridge_Ro3_Fragment_04_E07
  • Formula: C9H12O2
  • Maybridge_Ro3_Fragment_04_E07
Compound name: Maybridge_Ro3_Fragment_04_E09
  • Formula: C6H6O3
  • Maybridge_Ro3_Fragment_04_E09
Compound name: Maybridge_Ro3_Fragment_04_F02
  • Formula: C7Cl1H3O2S2
  • Maybridge_Ro3_Fragment_04_F02
Compound name: Maybridge_Ro3_Fragment_04_F03
  • Formula: C5Cl2H4N2
  • Maybridge_Ro3_Fragment_04_F03
Compound name: Maybridge_Ro3_Fragment_04_F05
  • Formula: C10F3H8N1O2
  • Maybridge_Ro3_Fragment_04_F05
Compound name: Maybridge_Ro3_Fragment_04_F07
  • Formula: C10H6N2
  • Maybridge_Ro3_Fragment_04_F07
Compound name: Maybridge_Ro3_Fragment_04_F08
  • Formula: C7H8N2O1
  • Maybridge_Ro3_Fragment_04_F08
Compound name: Maybridge_Ro3_Fragment_04_F10
  • Formula: C12H12O1S1
  • Maybridge_Ro3_Fragment_04_F10
Compound name: Maybridge_Ro3_Fragment_04_G02
  • Formula: C8Cl1H10N1O2S1
  • Maybridge_Ro3_Fragment_04_G02
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Citation:

  • Hesam Dashti, William M. Westler, Jonathan R. Wedell, Olga V. Demler, Hamid R. Eghbalnia, John L. Markley & Samia Mora, Probabilistic identification of saccharide moieties in biomolecules and their protein complexes, Scientific Data volume 7, Article number: 210 (2020), https://doi.org/10.1038/s41597-020-0547-y, https://www.nature.com/articles/s41597-020-0547-y

Disclaimer:

  • The custom source code, developed using Python3 in the Linux environment. This work is copyrighted under the terms of GPL, and the results are released under CC0 1.0 Universal of the Open Science Framework. The web-service and the source codes are provided on an “as is” basis without warranty of any kind, either expressed or implied. Any usage of the web-server, or modification and application of the source codes are free for academic use when CTPIC publications are cited.
  • The NetwrokX library is used in the CTPIC source codes.
  • The Open Babel software package is used in the CTPIC source codes.

Contact:

For any question or concern please contact Hesam Dashti (hdashti@bwh.harvard.edu).