Analysis of HIV systems using MDtraj
Currently supports various types of analysis for a specified simulation time(ns) and type of glycosylated protein (prot, nat or m9):
- RMSD
- RGYR of protein system no-H
- RGYR of protein + glycan system no-H
- RMSF env. plot wrt 0th frame of prot (divided into 3 chains)
- RMSF env. plot wrt mean (divided into 3 chains)
To do:
- RMSF error candle plots wrt. glycans BMA oxygen / sugar at the tip