I do not understand why people are saying Stellaris and No Man's Sky are good examples of games that do the colonizing of other planets well. Stellaris, Galactic Civilizations, Endless Space and other space 4X are good games, but colonizing planets in them are simple affairs: clicking on a colony ship towards a destination, then click a few more buttons to terraform that planet if you want. This simplification is understandable, since these games focus on building star-spanning empires and not colonizing planets specifically. No Man's Sky has no colonization to speak of, with every base that you can "construct" already being there. Building that base doesn't change depending on the planet, and characterized by the same repetitive, bland mechanics that plague No Man's Sky.
The only game that really captures colonizing an alien planet superbly is Alpha Centauri. Anyone who hasn't played the game will probably see how it looks like and think "Hey, it's Civilization in space". This is extremely inaccurate, of course. Alpha Centauri succeeds as the best planetary colonization game because of three mechanics-driven elements:
1) The alien planet you are colonizing feels aptly alien because of unique mechanics tied to how you build and expand. Winds on the planet always move from east to west, which makes rainfall more beneficial in areas west of elevated terrain. You can literally affect this unique characteristic of the alien planet by terraforming your territory to raise the land such that your bases are located west of that elevation. The alien organism in Planet also feels appropriately alien, because they operate on different mechanics in terms of combat. The mindworms (think Civilization's barbarians) do not care about attack and defense values of human units. Instead, they look at the morale of the unit i.e. it's veterancy. This is because mindworms have psionic abilities, and only soldiers with the mental fortitude gained through experience can resist the mindworms' psionic attacks. A faction like The University may have the best guns and armor, but if their soldiers are green rookies, they will still be killed by a few mindworms.
2) The decisions and actions you make in game are affected by the planet's rules, just as colonizing a planet like Mars will have to seriously consider how life there is different from Earth's. In Alpha Centauri, the prominence of alien flaura and fauna will influence which technology paths you will take--having lots of fungus in your territory will most likely lead you to research techs that improve yields from that fungus. The special terrain features that are randomly placed will affect the way that you expand, given that these features offer significant bonuses to bases built next to them.
3) Human society operates differently in an alien planet, and Alpha Centauri's social engineering mechanic (the precursor to the customizable social policies of Civilization games from IV onwards) reflects this aspect of colonization. An entire class of social engineering options is devoted to how your faction will deal with the alien planet's flora and fauna, which in turn affects the society that you build over the course of the game. Moreover, the division of factions into ideological groups makes sense in a game about colonization, since social constructs such as nations will not matter in the harsh demands of surviving in an alien world; however, human beliefs will.
Special mention to Kerbal Space Program as a game that gets colonization right in realistic and scientific ways, especially in the challenges of actually getting your colony to another planet in the first place. However, depth in portraying colonization in KSP is only possible with the great mods that have been made for that game.
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