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DMACRYS
DMACRYS Modelling crystals for … Sally Price's Research Group at UCL has developed DMACRYS - software that simulates the likely crystal … an organic molecule can adopt. We are helping to improve DMACRYS's sustainability by increasing its portability and …
Read moreAsk Steve! - To C or Not to C: which programming language should I use?
… have developed the much respected and used Fortran-based DMACRYS software for computational modelling of molecular …
Read moreThe Software Sustainability Institute 2018 highlights
… the usability of the project. We’ve also heard from DMACRYS that our work has been responsible for 15 to …
Read moreFlexible working on crystal structure modelling
… the team helped create a stable version of the NEIGHCRYS/DMACRYS software for the Control and Prediction of the … Sally Price and her researchers at UCL use NEIGHCRYS/DMACRYS to model organic crystal structures and their … with Professor Price and Dr Maurice Leslie , NEIGHCRYS/DMACRYS was a useful and effective tool – but tricky for …
Read moreLooking forward to the next ten years
… for the team: creating a stable version of the NEIGHCRYS/DMACRYS software. While ten years may seem a long time … is allowing electronic structure and atomistic modelling (DMACRYS performs atomistic modelling of the crystal …
Read moreLooking forward to the next ten years
… for the team: creating a stable version of the NEIGHCRYS/DMACRYS software. While ten years may seem a long time … is allowing electronic structure and atomistic modelling (DMACRYS performs atomistic modelling of the crystal …
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