Outputting the matrix of weights

[Alexander Fokas]

I was wandering how I could go about writing the matrix/vector of atom weights to a file?

Thanks,

Alexander

[Xinqiu Yao]

Hi Alexander,

Could you describe the question more specifically? What do you mean about 'atom weights'? Are they atom masses? Also, what is the input here (a 'pdb', 'pdbs', or some other object)?

[Lars Skjærven]

generally you can use function write.table to write a matrix to file:

write.table(h, file="hessian.dat")