Glancing String (Glastr)

Glastr is a simple molecular encoding for LLM systems. Programmers can get it at a glance. It contains atomically linked strings (molstr), heterogeneous strings (EZRS), conformational strings (dihedral, QS). And allows other tag strings to be extended after that.


  • 1.Each atom is separated by a "|" and it's "H" atom must be determined.
  • 2.In [parentheses] are the other atoms of the current atomic join. Note: Only forward join is included.
  • 3.No need to specify molecular bonding type (bond independent).
  • 4.QS represents the rotatable dihedral angle, and the angle range (-30 ~ 30), (30 ~ 150), (150 ~ 210), (210 ~ 330) is represented by Q0,Q2,Q1,Q3.

    • Glastr=Molstr & EZRS & QS & ...

    Example:

    Molstr: CH|CH2[1]|CH2[1]|CH2[3]|CH3[1]|NH[2,4]
    EZRS: [1]S
    QS: [1,2]Q3[1,3]Q0[4,6]Q3[2,6]Q3[3,4]Q0

    Smiles: N1C[C@H](CC1)C
    InChI: InChI=1S/C5H11N/c1-5-2-3-6-4-5/h5-6H,2-4H2,1H3/t5-/m0/s1

    More Examples:
    MoleculeMolstrEZRSQS
    CH4CH4
    NH3NH3
    H2OOH2
    CH3CH3CH3|CH3[1]
    CH2=CH2CH2|CH2[1]
    CH3OHCH3|OH[1]
    CO2C|O[1]|O[1]
    CH|CH[1]|CH3[1]|CH3[2]|[1,2]Z[1,2]Q0
    C|C[1]|CH[2]|CH2[1]|CH3[1]|CH3[3]|CH3[4]|[1,3]R2[1,2]Q3[1,4]Q2[2,3]Q3
    Paper