Pressure and temperature assumptions for plugin computations

Is it safe to assume that Marvin plug-ins, such as the protonation, pKa, & major microspecies plugins assume standard temperature and pressure when they perform their calculations?





Thank you,





~Tomer Altman


SRI, International


taltman<at>ai.sri.com

Hi,





Yes. The parameters are calculated under standard environmental conditions: room temperature (298K) and atmospheric pressure (101325Pa).











Jozsi

Thank you for your prompt reply!





~T