partial-atomic-charges

There are 2 repositories under partial-atomic-charges topic.

• sb-ncbr / ChargeFW2

  The core part of Atomic Charge Calculator II.

  partial-atomic-charges
  Language:C++ 27

• sb-ncbr / AlphaCharges

  𝛂Charges: A tool for the quick calculation of partial atomic charges for protein structures from AlphaFold DB

  alphafold2partial-atomic-chargesprotonation
  Language:Python 12

• sb-ncbr / AtomicChargeCalculator2

  Atomic Charge Calculator II (ACC II) is an application for fast calculation of partial atomic charges.

  partial-atomic-chargesweb-server
  Language:TeX 12

• matthew-hennefarth / CPET

  Analyze classical electric fields within chemical structures

  computational-chemistryelectric-fieldpartial-atomic-chargesprotein-structureprotein-trajectorytheoretical-chemistry
  Language:C++ 6

• sb-ncbr / eem_parameters

  EEM parameters

  partial-atomic-chargeseem
  5

• sb-ncbr / neemp

  EEM parameterization software

  eemparameterizationpartial-atomic-charges
  Language:C 5

• MergunFrimen / molstar-partial-charges

  Mol\* (/'mol-star/) plugin for viewing partial atomic charges.

  molstarpartial-atomic-charges
  Language:TypeScript