meld.system.openmm_runner.cmap

Classes

CMAPAdder(top_string[, alpha_bias, …])

CMAPResidue(res_num, res_name, index_N, …)

class meld.system.openmm_runner.cmap.CMAPResidue(res_num, res_name, index_N, index_CA, index_C)
count(value) → integer -- return number of occurrences of value
index(value[, start[, stop]]) → integer -- return first index of value.

Raises ValueError if the value is not present.

index_C

Alias for field number 4

index_CA

Alias for field number 3

index_N

Alias for field number 2

res_name

Alias for field number 1

res_num

Alias for field number 0