Mset

mset sets up a relationship between molecular states and movie frames. This makes it possible to control which states are shown in which frame.

The related command madd appends to the end of a movie. It is identical to the mset command, except for the default value of the frame argument (0 instead of 1).

Usage

mset specification [, frame ]
madd specification [, frame ]

Arguments

• specification = str: state sequence (see below for syntax), or empty string to delete movie {default: }
• frame = int: start frame, or 0 to append to the end of an existing movie {default: 1 (0 for madd)}

Specification Syntax

The state sequence specification consists of numbers, and the operators "x" and "-". Spaces between operators are optional.

Operator semantic:

• state x count: Repeat state state for count frames
• state1 - state2: Iterate from state1 to state2, yields abs(state1 - state2) + 1 frames

Formal syntax description:

• specification ::= state [x count] {- specification} [specification]
• state ::= number
• count ::= number

Examples

mset 1         # simplest case, one state -> one frame
mset 1 x10     # ten frames, all corresponding to state 1
mset 1 1 1 1 1 1 1 1 1 1 # identical to previous
mset 1-20      # map a 20 state trajectory to 20 frames
mset 1 2 3 4 5-20 # identical to previous

mset 1 x30 1 -15 15 x30 15 -1
# more realistic example:
# the first thirty frames are state 1
# the next 15 frames pass through states 1-15
# the next 30 frames are of state 15
# the next 15 frames iterate back to state 1

mset 1 x200 -78 -2 -78 -2 -78 x200 79 -156 157 x200 -234 235 x400 
# mset 1 x200 makes the first state last for 200 frames
# -78 -2 takes us FROM state 1 to 78, then back to frame 2.  I've repeated this for dramatic effect.
# Then we pause at 78 for 200 frames, then go from 79-156 and pause at 157 for 200 frames, etc.

cmd.mset("1 -%d" % cmd.count_states())
# this will create a one-to-one mapping of states to movie frames. useful for making movies from trajectory files.

PyMOL API

cmd.mset(string specification, int frame=1)
cmd.madd(string specification, int frame=0)

See Also

mdo, mplay, mclear