SLDMOL: A tool for the structural characterization of thermally disordered membrane proteins

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract SLDMOL is a program for modeling the 1-D scattering length density (SLD) profile of proteins at the lipid membrane–solution interface or adsorbed to other surfaces. The program reads experimental SLD data from neutron or X -ray reflectivity measurements and compares the results to a trajectory of protein structures, finding the conformation and orientation that best fits the experimental data. SLDMOL is a freely distributed open source program written in python that can be run independently u... Title of program: SLDMOL Catalogue Id: AETX_v1_0 Nature of problem Reflectivity is a powerful technique to study the conformation of biological molecules at surface and interfaces. Open source software that facilitates computational modeling and interpretation of experimental results in terms of detailed molecular structure is currently lacking. Versions of this program held in the CPC repository in Mendeley Data AETX_v1_0; SLDMOL; 10.1016/j.cpc.2014.07.006本程序源自贝尔法斯特女王大学馆藏的CPC程序库（1969-2018） 摘要 SLDMOL是一款用于模拟脂质膜-溶液界面或吸附于其他表面的蛋白质一维散射长度密度（Scattering Length Density, SLD）分布的程序。该程序可读取中子或X射线反射测量得到的实验SLD数据，并将计算结果与蛋白质结构轨迹进行比对，以找出最贴合实验数据的蛋白质构象与取向。SLDMOL是一款采用Python编写的免费开源程序，可独立运行…… 程序名称：SLDMOL 目录编号：AETX_v1_0 问题本质 反射技术是研究表面与界面处生物分子构象的强有力手段。当前仍缺乏能够基于精细分子结构实现实验数据的计算建模与结果解读的开源软件。 Mendeley数据平台的CPC库中收录的本程序版本：AETX_v1_0; SLDMOL; 10.1016/j.cpc.2014.07.006