Skrypt działa jedynie z plikami ligandów o rozszerzeniu mol2. W przypadku innych plików rozszerzeń sugerowane jest przepisanie ich na do formatu mol2. Operację można z sukcesem wykonać przy użyciu programu OpenBabel. Również najlepiej współpracuje z plikami outputowymi z programu gold. BUT FEAR NOTHING MY CHILD zawsze można w skrypcie zmienić frazy po jakich szuka i ustawić dowolne.
Pamiętaj tylko że ORIGIN to ten, którego nie liczysz, a SOLN to zadokowane!
Użycie:
- Umieść skrypt w folderze nadrzędnym.
- Uruchom skrypt.
- Brak printów w konsoli, huh? To zajrzyj do folderu gdzie jest skrypt. Powinien być tam plik output.txt (chyba zmienię na .log żeby było bardziej PRO, ale to jak mi się będzie chciało). W tym pliku jest wszystko czego potrzebujesz. Jeśli czegoś brakuje to zrobiłeś coś źle. Zacznij od sprawdzenia rozszerzeń plików i struktury folderów. Jak nie będzie śmigać to zakomentuj
import sys
sys.stdout = open('output.txt','wt')
i szukaj problemów na własną rękę. Stawiam na rozszerzenia lub problem z frazą.
Smash Mouth Somebody once told me the world is gonna roll me I ain't the sharpest tool in the shed She was looking kind of dumb with her finger and her thumb In the shape of an "L" on her forehead Well the years start coming and they don't stop coming Fed to the rules and I hit the ground running Didn't make sense not to live for fun Your brain gets smart but your head gets dumb So much to do, so much to see So what's wrong with taking the back streets? You'll never know if you don't go You'll never shine if you don't glow Hey now, you're an all-star, get your game on, go play Hey now, you're a rock star, get the show on, get paid And all that glitters is gold Only shooting stars break the mold It's a cool place and they say it gets colder You're bundled up now, wait till you get older But the meteor men beg to differ Judging by the hole in the satellite picture The ice we skate is getting pretty thin The water's getting warm so you might as well swim My world's on fire, how about yours? That's the way I like it and I never get bored Hey now, you're an all-star, get your game on, go play Hey now, you're a rock star, get the show on, get paid All that glitters is gold Only shooting stars break the mold Hey now, you're an all-star, get your game on, go play Hey now, you're a rock star, get the show, on get paid And all that glitters is gold Only shooting stars Somebody once asked could I spare some change for gas? I need to get myself away from this place I said yep what a concept I could use a little fuel myself And we could all use a little change Well, the years start coming and they don't stop coming Fed to the rules and I hit the ground running Didn't make sense not to live for fun Your brain gets smart but your head gets dumb So much to do, so much to see So what's wrong with taking the back streets? You'll never know if you don't go (go!) You'll never shine if you don't glow Hey now, you're an all-star, get your game on, go play Hey now, you're a rock star, get the show on, get paid And all that glitters is gold Only shooting stars break the mold And all that glitters is gold Only shooting stars break the mold Autorzy utworu: Gregory Camp Lyrics All Star © Spirit Music Group