Computational Modelling Flashcards
1
Q
Purpose
A
- Visualise molecular systems - Predict properties - create models consistent with experimental data
2
Q
Representations of models
A
- 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
3
Q
Byte
A
8 bits, can go to 255 a pair of bytes can go to 2^16
4
Q
Computer hardware
A
5
Q
CPU
A
carries out mathematical operations on data according to a set of instructions provided by the operating software
6
Q
RAM
A
- High speed, short term memory
- Usually lost when the computer is turned off
7
Q
Non-Volatile memory
A
- 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
8
Q
Programming
A
Machine code is typically generated in high level languages such as fortran, this is then compiled into machine language
9
Q
A
