Computational Modelling

Question 1

Purpose

Answer 1

• Visualise molecular systems - Predict properties - create models consistent with experimental data

Question 2

Representations of models

Answer 2

• Ball and Stick - CPK give a better idea of surface and volume occupied by each atom - Connolly models show the closes point a sphere can approach, solvent exposed area - Peptide backbone good for large complex molecules

Question 3

Byte

Answer 3

8 bits, can go to 255 a pair of bytes can go to 2^16

Question 4

Computer hardware

Answer 4

Question 5

CPU

Answer 5

carries out mathematical operations on data according to a set of instructions provided by the operating software

Question 6

RAM

Answer 6

• High speed, short term memory
• Usually lost when the computer is turned off

Question 7

Non-Volatile memory

Answer 7

• retains data when the computer is turned off. Provided by a hard disc. A rotating magnetic platter with a read/write head which creates memory by magnetizing the surface

Question 8

Programming

Answer 8

Machine code is typically generated in high level languages such as fortran, this is then compiled into machine language