CONFLEX is a software that effectively scans the flexible molecule's conformational space to discover all the optimum configurations.
As a software review, CONFLEX offers a unique capability in the field of geometry optimization applications. Unlike other similar software, CONFLEX offers the ability to search through the conformational space of a flexible molecule to find every optimal structure of chemically significant conformers. This capability means CONFLEX can find locally-optimized structures that aren't dependent on an initial input by the user.
Several unique strategies are utilized to allow CONFLEX to identify the most stable structures. Downstream reservoir-filling, a variable search limit, three modes of perturbation including the unique corner flap, edge flip, and stepwise rotation, and a pre-check are all part of CONFLEX's toolkit. The results of a CONFLEX calculation can be output in a variety of formats, making them usable in ab-initio calculations or visualization applications, such as BARISTA.
There are several standout features to CONFLEX including its exhaustive conformation searches, fast and highly accurate processing, ability to handle large molecules, parallel computing option, availability as a stand-alone engine, or with the BARISTA interface, and affordable licensing plans.
A few requirements are needed, such as Redhat Linux 7.1 and up, a 1.0 GHz processor, 40 GB of disk space, and at least 256MB of memory. The only significant limitation is that to receive a 30-day trial period license, the user must send an email. Overall, CONFLEX is an excellent option for those looking to take their work in geometry optimization applications to the next level.
Several unique strategies are utilized to allow CONFLEX to identify the most stable structures. Downstream reservoir-filling, a variable search limit, three modes of perturbation including the unique corner flap, edge flip, and stepwise rotation, and a pre-check are all part of CONFLEX's toolkit. The results of a CONFLEX calculation can be output in a variety of formats, making them usable in ab-initio calculations or visualization applications, such as BARISTA.
There are several standout features to CONFLEX including its exhaustive conformation searches, fast and highly accurate processing, ability to handle large molecules, parallel computing option, availability as a stand-alone engine, or with the BARISTA interface, and affordable licensing plans.
A few requirements are needed, such as Redhat Linux 7.1 and up, a 1.0 GHz processor, 40 GB of disk space, and at least 256MB of memory. The only significant limitation is that to receive a 30-day trial period license, the user must send an email. Overall, CONFLEX is an excellent option for those looking to take their work in geometry optimization applications to the next level.
What's New
Version 6.0: N/A